Lawrence Livermore National Laboratory



A detailed chemical kinetic mechanism has been developed for the oxidation of primary reference fuels (PRF), iso-octane and n-heptane, for gasoline. The mechanism was developed by combining the iso-octane and n-heptane (Version 2) mechanisms. This mechanism has been used in the simulation of homogeneous compression ignition engines in references 3 and 4 given below. The reaction rate rules for PRF version 2 are given in Reference 1 which should be used as a reference for the mechanism.

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References

Curran, H. J., P. Gaffuri, W. J. Pitz, and C. K. Westbrook, "A Comprehensive Modeling Study of iso-Octane Oxidation," Combustion and Flame 129:253-280 (2002). This reference has the reaction rate rules and should be used as a reference for the PRF mechanism.

Curran, H. J., W. J. Pitz, C. K. Westbrook, C. V. Callahan, and F. L. Dryer, “Oxidation of Automotive Primary Reference Fuels at Elevated Pressures,” Proc. Combust. Inst. 27:379-387, (1998).  Lawrence Livermore National Laboratory, Livermore, CA, UCRL-JC-133410. (Older version of mechanism used in this paper.)

Sjoberg, M., and J. E. Dec, "An Investigation into Lowest Acceptable Combustion Temperatures for Hydrocarbon Fuel in HCCI Engines," Proceedings of The Combustion Institute 30, In press, 2004. (Uses Version 2 of the mechanism).

Sjoberg, M., and J. E. Dec, "Isolating the Effects of Fuel Chemistry on Combustion Phasing in an HCCI Engine and the Potential of Fuel Stratification for Ignition Control," SAE 2004 World Congress & Exhibition, March 2004, Detroit, MI, USA, 2004, SAE Paper no. 2004-01-0557.  (Uses Version 2 of the mechanism).