Premium
The rate of methyl radical decomposition at high temperatures and pressures
Author(s) -
Su J. Z.,
Teitelbaum H.
Publication year - 1994
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550260116
Subject(s) - chemistry , limiting , dissociation (chemistry) , thermodynamics , reaction rate constant , bond dissociation energy , activation energy , kinetic energy , decomposition , work (physics) , high pressure , kinetics , organic chemistry , physics , quantum mechanics , mechanical engineering , engineering
Rate constants are calculated for CH 3 (+ Ar) ⇄ CH 2 + H (+ Ar) at the limiting low‐pressure, the limiting high‐pressure, as well as the intermediate fall‐off ranges. The results show that published experimental rate constants for methyl dissociation correspond to the fall‐off region close to the low‐pressure limit. At the low‐pressure limit the activation energy is less than the bond dissociation energy, in agreement with experimental results. Forward and backward rate coefficients at the high‐pressure limit are compared with other theoretical calculations. More theoretical and experimental work is necessary to understand the reverse reaction and its competing reactions, as well as the decomposition channel leading to CH + H 2 . © 1994 John Wiley & Sons, Inc.