Chemical kinetic mechanism for the oxidation of paraffinic hydrocarbons needed for primary reference fuels

Conference · Mon Mar 01 00:00:00 EST 1993

OSTI ID:10182800

Westbrook, C K; Pitz, W J

A detailed chemical kinetic reaction mechanism is described which simulates the oxidation of the primary reference fuels n-heptane and iso-octane. The high temperature subset of these mechanisms is identified, and the extensions to deal with low temperature conditions are also explained. The algorithms used to assign reaction rates to elementary steps in the reaction mechanism are described, and the means of identifying the different chemical species and the relevant reactions are outlined. Finally, we show how interested kinetic modeling researchers can obtain copies of this reaction mechanism.

• Research Organization: Lawrence Livermore National Lab., CA (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 10182800
• Report Number(s): UCRL-JC-112696; CONF-930383-3; ON: DE93019911
• Resource Relation: Conference: Spring meeting of the Western States Section of the Combustion Institute,Salt Lake City, UT (United States),22-23 Mar 1993; Other Information: PBD: Mar 1993
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
HEPTANE
COMBUSTION KINETICS
OCTANE
ALKANES
ANTIKNOCK RATINGS
ALGORITHMS
025000
400800
COMBUSTION
COMBUSTION, PYROLYSIS, AND HIGH-TEMPERATURE CHEMISTRY