n-Heptane Detailed Mechanism Version 3

This mechanism represents an updated release of the previous version available on the website (Version 3.0). The mechanism is based on the previously developed and very successful mechanism of Curran et al. 1998 [1]. Version 3.1 fixes some bugs found in Version 3.0. This detailed chemical kinetic mechanism has been developed and validated by comparison to experiments in shock tubes and rapid compression machines. Over the series of experiments numerically investigated, the initial pressure ranged from 3 to 50 atm, the temperature from 650 to 1200 K, and equivalence ratios from 0.3 to 1.0. The mechanism performs well at both low and high temperature and over a broad pressure range important for internal combustion engines.

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References for Mechanism

Mehl M., W.J. Pitz, C.K. Westbrook, H.J. Curran, "Kinetic Modeling of Gasoline Surrogate Components and Mixtures Under Engine Conditions," Proceedings of the Combustion Institute 33:193-200 (2011).

M. Mehl, W. J. Pitz, M. Sjöberg and J. E. Dec, "Detailed kinetic modeling of low-temperature heat release for PRF fuels in an HCCI engine," SAE 2009 International Powertrains, Fuels and Lubricants Meeting, SAE Paper No. 2009-01-1806, Florence, Italy, 2009. Available at www.sae.org.

Other reference

[1] Curran, H. J., P. Gaffuri, W. J. Pitz, and C. K. Westbrook, "A Comprehensive Modeling Study of n-Heptane Oxidation" Combustion and Flame 114:149-177 (1998).