Chemical kinetic modeling of the oxidation of large alkane fuels: n-octane and iso-octane

Conference · Sun Jan 12 23:00:00 EST 1986

OSTI ID:5584764

Axelsson, E I; Brezinsky, K; Dryer, F L; Pitz, W J; Westbrook, C K

The development of detailed chemical kinetic reaction mechanisms for oxidation of n-octane and iso-octane is described, with emphasis on the factors which are specific to many large hydrocarbon fuel molecules. Elements which are of particular importance are found to include site-specific abstraction of H atoms, radical isomerization of alkyl radicals by internal H atom abstraction, and rapid ..beta..-scission of the alkyl radicals. These features, combined with distinctions in the types of intermediate olefin species produced, are used to explain the significant differences in the rate of oxidation between n-octane and iso-octane. 24 refs., 3 figs., 1 tab.

• Research Organization: Lawrence Livermore National Lab., CA (USA); Princeton Univ., NJ (USA). Dept. of Mechanical and Aerospace Engineering; Volvo (A.B.), Goeteborg (Sweden). Applied Physics Dept.
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5584764
• Report Number(s): UCRL-93952; CONF-860804-1; ON: DE86005776
• Country of Publication: United States
• Language: English

Related Subjects

090110* -- Hydrocarbon Fuels-- Properties-- (1979-1989)
10 SYNTHETIC FUELS
33 ADVANCED PROPULSION SYSTEMS
330100 -- Internal Combustion Engines
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800 -- Combustion
Pyrolysis
& High-Temperature Chemistry
ALKANES
ALKENES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
CONTROL
ENGINES
FLAMES
FLUID FLOW
HEAT ENGINES
HYDROCARBONS
INTERNAL COMBUSTION ENGINES
ISOMERS
KINETICS
KNOCK CONTROL
LAMINAR FLOW
MATHEMATICAL MODELS
OCTANE
ORGANIC COMPOUNDS
OXIDATION
REACTION INTERMEDIATES
REACTION KINETICS
SHOCK TUBES
TURBULENT FLOW