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In order to reduce the negative health effects associated with engine pollutants, environmental problems caused by combustion engine emissions and satisfy the current strict emission standards, it is essential to better understand and simulate the emission formation process. Further development of emission model, improves the accuracy of the model-based optimization approach, which is used as a decisive tool for combustion system development and engine-out emission reduction. The numerical approaches for emission simulation are closely coupled to the combustion model. Using a detailed emission model, considering the 3D mixture preparation simulation including, chemical reactions, demands high computational effort. Phenomenological combustion models, used in 1D approaches for model-based system optimization can deliver heat release rate, while using a two-zone approach can estimate the NOx emissions.