Detailed chemical kinetics was used in an engine CFD code to study the combustion process in HCCI engines. The CHEMKIN code was implemented in KIVA such that the chemistry and flow solutions were coupled. The reaction mechanism consists of hundreds of reactions and species and is derived from fundamental flame chemistry. Effects of turbulent mixing on the reaction rates were also considered. The results show that the present KIVA/CHEMKIN model is able to simulate the ignition and combustion process in three different HCCI engines including a CFR engine and two modified heavy-duty diesel engines. Ignition timings were predicted correctly over a wide range of engine conditions without the need to adjust any kinetic constants. However, it was found that the use of chemical kinetics alone was not sufficient to accurately simulate the overall combustion rate. The effects of turbulent mixing on the reaction rates need to be considered to correctly simulate the combustion and heat release rates.

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