TY - JOUR
T1 - Dissociation of 1,1,1-trifluoroethane behind reflected shock waves
T2 - Shock tube/time-of-flight mass spectrometry experiments
AU - Giri, Binod
AU - Tranter, Robert S.
PY - 2007/3/8
Y1 - 2007/3/8
N2 - 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 〈ΔEdown〉 = 750 cm -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.
AB - 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 〈ΔEdown〉 = 750 cm -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.
UR - http://www.scopus.com/inward/record.url?scp=33947378672&partnerID=8YFLogxK
U2 - 10.1021/jp066232n
DO - 10.1021/jp066232n
M3 - Article
C2 - 17295454
AN - SCOPUS:33947378672
VL - 111
SP - 1585
EP - 1592
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 9
ER -