Computer modeling of cool flames and ignition of acetaldehyde

Journal Article · Mon Oct 01 00:00:00 EDT 1990 · Combustion and Flame; (USA)

DOI:https://doi.org/10.1016/0010-2180(90)90075-3· OSTI ID:6427939

Cavanagh, J; Cox, R A ^[1]; Olson, G ^[2]

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1. Engineering Sciences Division, Harwell Lab., Didcot, Oxfordshire OX11 ORA (GB)
2. Combustion Center, Lund Institute of Technology, Box 118, S22100 Lund (SE)

A detailed mechanism for the oxidation of acetaldehyde at temperatures between 500-1000 K has been assembled using 77 elementary reactions involving 32 reactant, product, and intermediate species. Rate coefficients were taken from recent critical evaluations of experimental data. Where experimental measurements were not available, the rate parameters were estimated from the body of currently available kinetics information. The mechanism was shown to predict correctly the rates and products observed in CH{sub 3}CHO oxidation studies in a low-pressure in a stirred flow reactor and at high pressure in a rapid compression machine. The oscillatory phenomena in the flow system and the two-stage ignition observed at high pressure were satisfactorily described by the mechanism. It is shown that cool flames are caused by degenerate branching mainly by peracetic acid and that hydrogen peroxide promotes hot ignition.

• OSTI ID: 6427939
• Journal Information: Combustion and Flame; (USA), Vol. 82:1; ISSN 0010-2180
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
10 SYNTHETIC FUELS
ACETALDEHYDE
FLAMES
COMPUTERIZED SIMULATION
CHEMICAL REACTORS
COMBUSTION KINETICS
HIGH PRESSURE
HYDROGEN PEROXIDE
OXIDATION
TEMPERATURE GRADIENTS
ALDEHYDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
HYDROGEN COMPOUNDS
KINETICS
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
PEROXIDES
REACTION KINETICS
SIMULATION
400800* - Combustion
Pyrolysis
& High-Temperature Chemistry
100400 - Synthetic Fuels- Combustion- (1990-)