Dissociation of 1,1,1-trifluoroethane behind reflected shock waves :shock tube/time-of-flight mass spectrometry experiments.
The dissociation of 1,1,1,-trifluoroethane, a potential non-RRKM reaction, has been studied at 600 and 1200 Torr and high temperatures (1500-1840 K) using a new shock tube/time-of-flight mass spectrometer (ST/TOF-MS). These data obtained by an independent method are in good agreement with the laser schlieren, LS, experiments of Kiefer et al. [J. Phys. Chem. A 2004, 108, 2443-2450] and extend the range of that experimental dataset. The data have been simulated by both standard RRKM calculations and the non-RRKM model reported by Kiefer et al. but with <{Delta}E{sub down}> = 750 cm{sup -1}. Both the RRKM and non-RRKM calculations provide equally good fits to the ST/TOF-MS data. Neither model simulates the combined ST/TOF-MS and LS datasets particularly well. However, the non-RRKM model predicts a pressure dependency closer to that observed in the experiments than the RRKM model.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC02-06CH11357
- OSTI ID:
- 939555
- Report Number(s):
- ANL/CHM/JA-57574; JPCAFH; TRN: US200823%%152
- Journal Information:
- J. Phys. Chem. A, Vol. 111, Issue 19 ; 2007; ISSN 1089-5639
- Country of Publication:
- United States
- Language:
- ENGLISH
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