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Three dimensional computational model has been developed to predict the macroscopic behavior of the fuel spray in D. I. diesel engines. The model was based on the KIVA-II code with modification of some submodels that it can deal with the observed phenomena such as liquid column near the nozzle tip and spray impingement on a wall. Firstly, this model was verified by comparing the prediction with the experimental results in a constant volume vessel. Secondly with application to a D.I. diesel engine, the detailed behavior of the spray in a combustion chamber was revealed. Moreover, the engine performance under different spray angles were discussed with the prediction of this model.