The CRECK Modeling Group

Download here our detailed kinetic mechanisms for hydrocarbon fuels

Primary Reference Fuels (PRF) + PAH + Alcohols + Ethers (Version 1412, December 2014)

Mechanism of PRFs, Alcohols (Ethanol, Propanol and Butanol isomers) and Ethers (DME, MTBE, ETBE, DIPE, TAME). n-Butanol includes a lumped Low Temperature mechanism.

 

High temperature kinetic mechanism (225 species 7645 reactions)

High and Low temperature kinetic mechanism (317 species 12353 reactions)

Thermodynamics

Transport properties

List of species

 

References for alcohols and ethers

A. Frassoldati, A. Cuoci, T. Faravelli, E. Ranzi, Kinetic modeling of the oxidation of ethanol and gasoline surrogate mixtures, Combustion Science and Technology, 182, pp. 653-667 (2010), doi: 10.1080/00102200903466368

A. Frassoldati, A. Cuoci, T., Faravelli, U. Niemann, E. Ranzi, R. Seiser, K. Seshadri, An experimental and kinetic modeling study of n-propanol and iso-propanol combustion, Combustion and Flame 157 (1), pp. 2-16 (2010), doi:10.1016/j.combustflame.2009.09.002

A. Frassoldati, R. Grana, T. Faravelli, E. Ranzi, P. Obwald, K. Kohse-Hoinghaus, Detailed kinetic modeling of the combustion of the four butanol isomers in premixed low-pressure flames, Combustion and Flame 159 (2012) 2295-2311, doi:10.1016/j.combustflame.2012.03.002

A. Goldaniga, T. Faravelli, E. Ranzi, P. Dagaut, M. Cathonnet, Oxidation of oxygenated octane improvers: MTBE, ETBE, DIPE, and TAME, Twenty-Seventh Sysposium (International) on Combustion , Volume 27, Issue 1, 1998, Pages 353-360