Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9637424 | Proceedings of the Combustion Institute | 2005 | 9 Pages |
Abstract
The shock tube technique with H- and D-atom atomic resonance absorption spectrometry detection has been used to study the reaction,D+C2H4âC2H3D+Hover the temperature range, 1153-1616 K. The rate constants for this reaction were found to be temperature dependent with k = (2.56 ± 0.46) Ã 10â10 exp (â2797 ± 239K/T) cm3 moleculeâ1 sâ1 with the errors being at the one standard deviation level. The present data have been combined with earlier lower temperature determinations, and the joint database has been examined with theory that includes both an ab initio determination of the potential energy surface and an evaluation of the rate constants using the RRKM theory. Similar calculations have been made for the analogous all-H reaction. For both isotopic combinations, the agreement between theory and experiment is good, allowing a new estimate from theory for the high-pressure limit for H + C2H4 â C2H5 of 0.420 Ã 10â15 T1.75 exp (â604.9 K/T) cm3 moleculeâ1 sâ1 for 200-2000 K. Since the D + C2H4 measurements reported here are the only high temperature measurements for either isotopic combination, the new high-pressure limiting estimate should be the best available at high temperatures.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
J.V. Michael, M.-C. Su, J.W. Sutherland, L.B. Harding, A.F. Wagner,