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Accurate simulation tools are needed for rapid and cost effective engine development in order to meet ever tighter pollutant regulations for future internal combustion engines. The formation of pollutants such as soot and NOx in Diesel engines is strongly influenced by local concentration of the reactants and local temperature in the combustion chamber. Therefore it is of great importance to model accurately the physics of the injection process, combustion and emission formation. It is common practice to approximate Diesel fuel as a single compound fuel for the simulation of the injection and combustion process. This is in many cases sufficient to predict the evolution of the in-cylinder pressure and heat release in the combustion chamber. The prediction of soot and NOx formation depends however on locally component resolved quantities related to the fuel liquid and gas phase as well as local temperature.

In the near future the effort on the development of exhaust gas treatment systems must be increased to meet the stringent emission requirements. If the relevant physical and chemical models are available, the numerical simulation is an important tool for the design of these systems. This work presents a CFD model that allows to cover the full range of applications in this area. After a detailed presentation of the theoretical background and the modeling strategies results for the simulation of a close-coupled catalyst are shown. The presented model is also applied to the oxidation of nitrogen oxides, to a diesel particle filter and a fuel-cell reformer catalyst.

Results from numerical computations performed to represent the transient behavior of vaporizing sprays injected into a constant volume chamber and into a High Speed Direct Injection combustion chamber are presented. In order to describe the liquid phase, a new model has been developed from ideas brought forward by recent experimental results (Siebers, 1999) and numerical considerations (Abraham, 1999). The liquid penetration length is given by a 1D model which has been validated on a large number of experiments. In the 3D calculation, break-up, vaporization, drag, collision and coalescence are not modeled. The mass, momentum and energy transfers from the liquid to the gas phase are imposed from the nozzle exit surface to the liquid penetration length. This model enables us to reach time step and grid-independent results. The gas penetrations obtained with the model are checked against experimental results in a constant volume chamber (Verhoeven et al., 1998).