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A skeletal reaction mechanism (101 species, 479 reactions) for a range of aliphatic hydrocarbons was constructed for application to computational fluid dynamics (CFD) Gasoline Homogeneous Charge Compression Ignition (HCCI) engine modeling. The mechanism is able to predict shock tube ignition delays and premixed flame propagation velocities for the following components: hydrogen (H2), methane (CH4), acetylene (C2H2), propane (C3H8), n-heptane (C7H16) and iso-octane (C8H18). The mechanism is integrated with a simulation code combining both modeling of detailed chemistry and gas exchange processes. This simulation tool was constructed by connecting the SENKIN code of the CHEMKIN library to the AVL BOOST™ engine cycle simulation code. Using a complete engine cycle simulation code instead of a code that only considers the combustion process has a major advantage. The initial conditions at the intake valve closure (IVC) have no longer to be set.

For the application to Gasoline Homogenous Charge Compression Ignition (HCCI) modeling, a multi-zone model was developed. For this purpose, the detailed-chemistry code SENKIN from the CHEMKIN library was modified. In a previous paper, the authors explained how piston motion and a heat transfer model were implemented in the SENKIN code to make it applicable to engine modeling. The single-zone model developed was successfully implemented in the engine cycle simulation code AVL BOOST™. A multi-zone model, including a crevice volume, a quench layer and multiple core zones, is introduced here. A temperature distribution specified over these zones gives this model a wider range of application than the single-zone model, since fuel efficiency, emissions and heat release can now be predicted more accurately. The SENKIN-BOOST multi-zone model predictions are compared with experimental data.