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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.

To model sprays from pressure-swirl atomizers, the connection between the injector and the downstream spray must be considered. A new model for pressure-swirl atomizers is presented which assumes little knowledge of the internal details of the injector, but instead uses available observations of external spray characteristics. First, a correlation for the exit velocity at the injector exit is used to define the liquid film thickness. Next, the film must be modeled as it becomes a thin, liquid sheet and breaks up, forming ligaments and droplets. A linearized instability analysis of the breakup of a viscous, liquid sheet is used as part of the spray boundary condition. The spray angle is estimated from spray photographs and patternator data. A mass averaged spray angle is calculated from the patternator data and used in some of the calculations.

A correction for the turbulence dissipation, based on non-equilibrium turbulence considerations from rapid distortion theory, has been derived and implemented in combination with the RNG k - ε model in a KIVA-based code. This model correction has been tested and compared with the standard RNG k - ε model for the compression and the combustion phase of two heavy duty DI diesel engines. The turbulence behavior in the compression phase shows clear improvements over the standard RNG k - ε model computations. In particular, the macro length scale is consistent with the corresponding time scale and with the turbulent kinetic energy over the entire compression phase. The combustion computations have been performed with the characteristic time combustion model. With this dissipation correction no additional adjustments of the turbulent characteristic time model constant were necessary in order to match experimental cylinder pressures and heat release rates of the two engines.