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

Conference · Mon Jan 13 00:00:00 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
• Resource Relation: Conference: 21. international symposium on combustion, Munich, F.R. Germany, 3 Aug 1986
• Country of Publication: United States
• Language: English

Related Subjects

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