ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A comprehensive detailed chemical kinetic mechanism for methanol oxidation has been developed and validated against multiple experimental data sets. The data are from static-reactor, flow-reactor, shock-tube, and laminar-flame experiments, and cover conditions of temperature from 633-2050 K, pressure from 0.26-20 atm, and equivalence ratio from 0.05-2.6. Methanol oxidation is found to be highly sensitive to the kinetics of the hydroperoxyl radical through a chain-branching reaction sequence involving hydrogen peroxide at low temperatures, and a chain-terminating path at high temperatures. The sensitivity persists at unusually high temperatures due to the fast reaction of CH2OH+O2=CH2O+HO2 compared to CH2OH+M=CH2O+H+M. The branching ratio of CH3OH+OH=CH2OH/CH3O+H2O was found to be a more important parameter under the higher temperature conditions, due to the rate-controlling nature of the branching reaction of the H-atom formed through CH3O thermal decomposition. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 805-830, 1998
Additional Material:
25 Ill.
Type of Medium:
Electronic Resource
