CF₃BrH₂ reaction in shock waves

Abstract

CFaBr-Hz mixtures highly diluted with Ar were studied by using a time-resolved IRemission of HBr and a gas-chromatography for reaction products. The temperature range covered was 1000-1600 K and the total pressure behind the reflected shock waves used was 1.2-2.6 atm. CF3H, C#6, and CzF4 were produced and the yields of these products were determined as a function of temperature. The main product under our experimental conditions was CF3H. The mechanism and the rate constants of CF3Br-Hz reaction at high temperatures were discussed. The experimental data was satisfactorily modeled using a 14-reaction mechanism. Reaction (5) played an important role in the formation of CF3H together with reaction (4).

Vibrational relaxation and dissociation in the perfluoromethyl halides, CF3Cl, CF3Br, andCF3I

“…As seen, the Troe CF 3 I results are well reproduced, but the Hidaka CF 3 Br rates are inexplicably high. Hidaka and his co-workers have repeated their work on CF 3 Br [32], with very different results. Their new rate is exactly a factor 16 smaller than their earlier value, and is now about a factor 3 smaller than the RRKM prediction of Figure 16.…”

Conversion of CHF3 to CH2CF2 via reaction with CH4 in the presence of CBrF3: An experimental and kinetic modelling study

“…In the present study, CBrF 3 is chosen as a promoter for the reaction of CHF 3 with CH 4 . As CBrF 3 has a relatively weak C-Br bond and can provide Br radicals at relatively low temperatures, it is expected that the Br radicals can activate [17][18][19][20], facilitating the formation of CH 3 radicals and thus improving the yield of CH 2 CF 2 .…”

Quantum Scattering and Semiclassical Transition State Theory Calculations on Chemical Reactions of Polyatomic Molecules in Reduced Dimensions

“…As T decreases, typically below 500K, quantum effects becomes significant and the QRS rate constants are clearly higher than the TST ones. We also show the comparison between our calculated thermal rate constants and the experimental [78][79][80] and other theoretical [81] results. The experimental results from both Hranisavljevic et al [78] and Hidaka et al [79] were both done at Theory MAI/DUN [81] Expt.…”

“…ART/BEL [80] Expt. HID/NAK [79] Expt. HRA/MIC [78] QRS TST more accurately fit the ab initio data [39,52,83] .…”