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The specific aim is to validate an engineering model for direct injection (DI) Diesel engine emissions. Characteristic times describing the controlling fluid mechanics and chemical kinetics will be employed in the model to correlate both NOx and particulate emissions. Because the model equations are algebraic, they are suitable for implementation in a phenomenological cycle simulation program, or as an emissions model option in a computational fluid dynamics code. An original premise was that earlier work on global NO chemistry based on pollutant emissions dominated by diffusion flame contributions had adequately elucidated the kinetic aspects of the model. It is shown here that this approach is not valid for modern engines. Rather, an improved two-zone flame model for NO formation/decomposition is required. Mellor et al. [1] propose such a model, but include only qualitative preliminary model validation.

Most computational schemes and kinetic models for engine-out NOx emissions from Diesels are based on the Zeldovich or extended Zeldovich mechanism. However, at pressures typical of both the premixed and diffusion portions of the combustion process, the third-body reaction leading to the formation of N2O (O + N2 + M) becomes faster than the leading reaction in the Zeldovich mechanism (O + N2). As in gas turbines, particularly those involving lean-premixed combustor designs, NO formation in Diesels through the N2O mechanism can thus proceed more efficiently than through the traditional route. Decomposition of NO in the combustion products during the power stroke can also occur by both the reverse Zeldovich reactions and the second order step that produces N2O (2NO ® N2O + O). Based on these observations, a skeletal mechanism consisting of seven elementary reactions is used to develop a two-zone model for NOx emissions from direct injection (DI) Diesel engines.