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This project is one component of a broader effort whose ultimate goal is to provide CFD-based tools that can be used to optimize the design of urea SCR NOx aftertreatment systems for heavy-duty diesel engines. Here the focus is on predicting the distributions of key chemical species (ammonia, in particular) at the inlet to the catalysts. Two aspects of the physical models have been emphasized: the multi-phase models, and the gas-phase chemistry models. A hierarchy of four simplified geometric configurations has been used for model development and parametric studies, and to establish the appropriate level of physical modeling and numerical fidelity required. The resulting physical and numerical parameters then have been used to model a production SCR system. Initial quantitative comparisons with experimental measurements are encouraging.

In this paper a fast NOx model is presented which can be used for engine optimization, aftertreatment control or virtual mapping. A cylinder pressure trace is required as input data. High calculation speed is obtained by using table interpolation to calculate equilibrium temperatures and species concentrations. Test data from a single-cylinder engine and from a complete six-cylinder engine have been used for calibration and validation of the model. The model produces results of good agreement with emission measurements using approximately 50 combustion product zones and a calculation time of one second per engine cycle. Different compression ratios, EGR rates, injection timing, inlet pressures etc. were used in the validation tests.