A comprehensive mechanism for methanol oxidation

✍ Scribed by Timothy J. Held; Frederick L. Dryer

• Publisher: John Wiley and Sons
• Year: 1998
• Tongue: English
• Weight: 437 KB
• Volume: 30
• Category: Article
• ISSN: 0538-8066
• DOI: 10.1002/(sici)1097-4601(1998)30:11<805::aid-kin4>3.0.co;2-z

✦ Synopsis

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 pressure from and equivalence ratio from 0.05-633-2050 K, 0.26-20 atm, 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

was found to be a more important parameter under the higher temperature conditions, H O 2 due to the rate-controlling nature of the branching reaction of the H-atom formed through CH 3 O thermal decomposition.