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A modified version of KIVA II code was used to perform three-dimensional calculations of combustion in a DI diesel engine. Both an ignition delay submodel and a different formulation of the fuel reaction rate were implemented and tested. The experiments were carried out on a single cylinder D.I. diesel of 0.75 I displacement equipped with sensors to detect injection characteristics and indicated pressure. A fast acting sampling valve was also installed in the combustion chamber to allow the measurement of main pollutants during the combustion cycle, by an ensemble average technique. Computational and experimental results are compared and the discrepancies are discussed. Today the demand for light duty engines that produce less emission and consume less fuel is increasing. Thus, if limits on CO2 emissions are established, the direct injection diesel engine for light duty applications will become an attractive option.