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A detailed chemical kinetic reaction mechanism for the oxidation of iso-octane and n-heptane over an extended temperature range and its application to analysis of engine knock

Conference ·
OSTI ID:7169923
; ;

A detailed chemical kinetic reaction is developed to describe the oxidation of n-heptane, iso-octane, and their mixtures over a wide range of operating conditions. In addition to a high temperature submechanism, reaction paths are included to describe the lower temperature regimes in which the rate and intermediate products of oxidation are controlled by addition of molecular oxygen to alkyl and isomerized alkylperoxy radicals, internal H atom abstractions, and reactions involving O-heterocyclic species. The mechanism is then used to study the influence of fuel composition on knocking in internal combustion engines. Autoignition of mixtures of iso-octane and n-heptane is examined. The computations reproduce the variations of autoignition delay time with octane number and these variations are interpreted in terms of detailed differences in the structure of the two primary reference fuels. Sensitivity analyses of the computations are also presented. 30 refs., 2 figs.

Research Organization:
Lawrence Livermore National Lab., CA (USA)
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
7169923
Report Number(s):
UCRL-98040; CONF-880802-2; ON: DE88005370
Country of Publication:
United States
Language:
English

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Related Subjects

090110 -- Hydrocarbon Fuels-- Properties-- (1979-1989)
10 SYNTHETIC FUELS
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKANES
ALKYL RADICALS
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
CONTROL
DISPERSIONS
ENGINES
FUELS
HEAT ENGINES
HEPTANE
HYDROCARBONS
IGNITION
INTERNAL COMBUSTION ENGINES
ISOMERIZATION
KINETICS
KNOCK CONTROL
MIXTURES
MOLECULAR STRUCTURE
OCTANE
ORGANIC COMPOUNDS
OXIDATION
PEROXY RADICALS
RADICALS
REACTION KINETICS
SENSITIVITY ANALYSIS
YIELDS