TY - GEN
T1 - Thermal decomposition of vinyl fluoride
T2 - 5th US Combustion Meeting 2007
AU - Giri, B. R.
AU - Xu, H.
AU - Sivaramakrishnan, R.
AU - Kiefer, J. H.
AU - Tranter, R. S.
PY - 2007
Y1 - 2007
N2 - The thermal decomposition of vinyl fluoride was investigated at pressures 75-1370 Torr and high temperatures 1500-2300 K in shock tubes using two different independent detection techniques: time of flight mass spectrometry and laser schlieren densitometry. The measured rate coefficients show a strong fall off from the high pressure limiting rate constant (k∞) and are found to be in excellent agreement for the two techniques, within an experimental uncertainty of ±30%. A multichannel RRKM calculation based on 1,2 and 1,1 elimination of HF from vinyl fluoride was performed. Good agreement between the theory and the experimental data was obtained with a branching ratio of 0.5 which is in agreement with the estimated difference in barrier height, 1.5 kcal/mol, for the 1,2 and 1,1 elimination paths that were obtained from transition state theory calculations. The RRKM calculations could also reproduce the experimental data of Simmie et al. (J. Phys. Chem. 70, 74, 992) which are close to the calculated k∞.
AB - The thermal decomposition of vinyl fluoride was investigated at pressures 75-1370 Torr and high temperatures 1500-2300 K in shock tubes using two different independent detection techniques: time of flight mass spectrometry and laser schlieren densitometry. The measured rate coefficients show a strong fall off from the high pressure limiting rate constant (k∞) and are found to be in excellent agreement for the two techniques, within an experimental uncertainty of ±30%. A multichannel RRKM calculation based on 1,2 and 1,1 elimination of HF from vinyl fluoride was performed. Good agreement between the theory and the experimental data was obtained with a branching ratio of 0.5 which is in agreement with the estimated difference in barrier height, 1.5 kcal/mol, for the 1,2 and 1,1 elimination paths that were obtained from transition state theory calculations. The RRKM calculations could also reproduce the experimental data of Simmie et al. (J. Phys. Chem. 70, 74, 992) which are close to the calculated k∞.
UR - http://www.scopus.com/inward/record.url?scp=84943544772&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:84943544772
T3 - 5th US Combustion Meeting 2007
SP - 1089
EP - 1096
BT - 5th US Combustion Meeting 2007
PB - Combustion Institute
Y2 - 25 March 2007 through 28 March 2007
ER -