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A complex chemistry model of reduced size (65 species and 268 reaction steps) derived on the basis of n-heptane auto-ignition kinetics, low hydrocarbon oxidation chemistry, poly-aromatic hydrocarbon (PAH) and NOx formation kinetics together with a phenomenological soot model have been integrated with the KIVA code for multidimensional diesel simulations. A partially stirred reactor model is used to handle the turbulence-chemistry interaction. The results obtained from numerical simulations for a direct-injection (DI) diesel spray, which is injected into a constant-volume combustion vessel at engine-like conditions, show that the approach is able to reproduce the transient diesel auto-ignition and combustion processes as observed in many optical imaging studies. The simulated results indicate that the auto-ignition of DI diesel spray occurs at a lean site close to the mean stoichiometric line for the cases tested.