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A validation study of the numerical model of n-heptane spray combustion based on experimental constant-volume data [1] was done, by comparing auto-ignition delays for different pre - turbulence levels and initial temperatures, flame contours, and soot distributions under Diesel-like conditions. The basic novelty of the methodology developed in [2] - [3] is the implementation of the partially stirred reactor (PaSR) model accounting for detailed chemistry / turbulence interactions. It is based on the assumption that the chemical processes proceed in two successive steps: micro mixing, simulated on a sub - grid scale, is followed by the reaction act. When the all Re number RNG k-ε or LES models are employed, the micro mixing time can be consistently defined giving the combustion model a “well-closed” form incorporated into the KIVA-3V code.

Until recently, the application of the detailed chemistry approach as a predictive tool for engine modeling has been sort of a “taboo” for different reasons, mainly because of an exaggerated rigor to the chemistry/turbulence interaction modeling. In terms of this ideology, if the interaction cannot be simulated properly, the detailed chemistry approach makes no sense. The novelty of the proposed methodology is the coupling of a generalized partially stirred reactor, PaSR, model with the high efficiency numerics to treat detailed oxidation kinetics of hydrocarbon fuels. In terms of this approach, chemical processes are assumed to proceed in two successive steps: the reaction follows after the micro-mixing is completed on a sub-grid scale.