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A transport equation residual model incorporating refined G-equation and detailed chemical kinetics combustion models has been developed and implemented in the ERC KIVA-3V release2 code for Gasoline Direct Injection (GDI) engine simulations for better predictions of flame propagation. In the transport equation residual model a fictitious species concept is introduced to account for the residual gases in the cylinder, which have a great effect on the laminar flame speed. The residual gases include CO2, H2O and N2 remaining from the previous engine cycle or introduced using EGR. This pseudo species is described by a transport equation. The transport equation residual model differentiates between CO2 and H2O from the previous engine cycle or EGR and that which is from the combustion products of the current engine cycle.

Improvements to combustion models for modeling spark ignition engines using the G-equation flame propagation model and detailed chemical kinetics have been performed. The improvements include revision of a PRF chemistry mechanism, precise calculation of “primary heat release” based on the sub-grid scale unburned/burnt volumes of flame-containing cells, modeling flame front quenching in highly stratified mixtures, introduction of a Damkohler model for assessing the combustion regime of flame-containing cells, and a better method of modeling the effects of the local residual value on the burning velocity. The validation of the revised PRF mechanism shows that the calculated ignition delay matches shock tube data very well. The improvements to the “primary heat release” model based on the cell unburned/burnt volumes more precisely consider the chemical kinetics heat release in unburned regions, and thus are thought to be physically reasonable.

In this paper, knock in a Ford single cylinder direct-injection spark-ignition (DISI) engine was modeled and investigated using the KIVA-3V code with a G-equation combustion model coupled with detailed chemical kinetics. The deflagrative turbulent flame propagation was described by the G-equation combustion model. A 22-species, 42-reaction iso-octane (iC8H18) mechanism was adopted to model the auto-ignition process of the gasoline/air/residual-gas mixture ahead of the flame front. The iso-octane mechanism was originally validated by ignition delay tests in a rapid compression machine. In this study, the mechanism was tested by comparing the simulated ignition delay time in a constant volume mesh with the values measured in a shock tube under different initial temperature, pressure and equivalence ratio conditions, and acceptable agreements were obtained.