Gasoline combustion

A detailed chemical kinetic mechanism for the simulation of gasoline surrogate mixtures has been assembled from existing LLNL mechanisms for n-heptane, iso-octane [1], toluene and C5-C6 olefins [2] and validated using experimental data from shock tubes, stirred reactor, and rapid compression machines [3]. The detailed kinetic model has been used to estimate a surrogate composition targeting a RD387 gasoline (LLNL surrogate) and the obtained formulation was used in comparisons with gasoline experimental flame speeds available in literature [4]. The same surrogate composition coupled with the detailed mechanism here available was successfully applied to the simulation of an HCCI engine under naturally aspirated and boosted conditions [5]. Modeling results obtained from the detailed mechanism were also compared with LLNL surrogate and RD387 rapid compression machine data across a wide range of temperature pressure and equivalence ratios [6-7]. The mechanism performs well at both low and high temperatures and over a broad pressure range important for internal combustion engines. Two reduced versions of the mechanism are available: a 679 species version reduced at University of Connecticut by Prof. Lu and the skeletal mechanism (323 species) presented in [4]. The 679 species reduced mechanism was obtained using the methods described in [8] targeting iso-octane, n-heptane, toluene, 2-pentene and ethanol as pure components and their mixtures. The 323 species mechanism was obtained by our collaborators from University of California targeting the ignition delay times of the 4 component mixture only [4]. This mechanism has not been tested for pure components

Download files (CHEMKIN format):

Reference 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).