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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.