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The use of predictive models in the study of Internal Combustion Engines (ICE) allows reducing developing cost and times. However, those models are challenging due to the complex and multi-phase phenomena occurring in the combustion chamber, but also because of the different spatial and temporal scales in different components of the injection systems. This work presents a methodology to accurately simulate the spray by Discrete Droplet Models (DDM) without experimentally measuring the injector mass flow rate and/or momentum flux. Transient nozzle flow simulations are used instead to define the injection conditions of the spray model. The methodology is applied to a multi-hole Gasoline Direct injection (GDi) injector. Firstly, the DDM constant values are calibrated comparing simulation results to Diffused Back-light Illumination (DBI) experimental technique results. Secondly, transient nozzle flow simulations are carried out.

The NO reduction in an ammonia SCR converter has been simulated by a 1D+1D model for a single representative channel to parametrically study the characteristics of the system under typical operating conditions. An appropriate model has been selected interpreting the chemical behavior of the system and the parameters are calibrated based on a comprehensive set of experiments with an Fe-Zeolite washcoated monolith for different feed concentrations, temperatures and flow rates. Physical and chemical properties are determined as well as kinetics and rate parameters and the model has been verified by experimental data at different operating conditions. Three different mechanisms for the surface kinetics to model NO reduction have been assessed and the results have been compared in the cases of steady DeNO performance and transient response of the system. Ammonia inhibition is considered in the model since it has a major effect specifically under transient operating conditions.