2 resultados para CHEMICAL KINETICS
em AMS Tesi di Dottorato - Alm@DL - Università di Bologna
Resumo:
A possible future scenario for the water injection (WI) application has been explored as an advanced strategy for modern GDI engines. The aim is to verify whether the PWI (Port Water Injection) and DWI (Direct Water Injection) architectures can replace current fuel enrichment strategies to limit turbine inlet temperatures (TiT) and knock engine attitude. In this way, it might be possible to extend the stoichiometric mixture condition over the entire engine map, meeting possible future restrictions in the use of AES (Auxiliary Emission Strategies) and future emission limitations. The research was first addressed through a comprehensive assessment of the state-of-the-art of the technology and the main effects of the chemical-physical water properties. Then, detailed chemical kinetics simulations were performed in order to compute the effects of WI on combustion development and auto-ignition. The latter represents an important methodology step for accurate numerical combustion simulations. The water injection was then analysed in detail for a PWI system, through an experimental campaign for macroscopic and microscopic injector characterization inside a test chamber. The collected data were used to perform a numerical validation of the spray models, obtaining an excellent matching in terms of particle size and droplet velocity distributions. Finally, a wide range of three-dimensional CFD simulations of a virtual high-bmep engine were realized and compared, exploring also different engine designs and water/fuel injection strategies under non-reacting and reacting flow conditions. According to the latter, it was found that thanks to the introduction of water, for both PWI and DWI systems, it could be possible to obtain an increase of the target performance and an optimization of the bsfc (Break Specific Fuel Consumption), lowering the engine knock risk at the same time, while the TiT target has been achieved hardly only for one DWI configuration.
Resumo:
The innovation in several industrial sectors has been recently characterized by the need for reducing the operative temperature either for economic or environmental related aspects. Promising technological solutions require the acquisition of fundamental-based knowledge to produce safe and robust systems. In this sense, reactive systems often represent the bottleneck. For these reasons, this work was focused on the integration of chemical (i.e., detailed kinetic mechanism) and physical (i.e., computational fluid dynamics) models. A theoretical-based kinetic mechanism mimicking the behaviour of oxygenated fuels and their intermediates under oxidative conditions in a wide range of temperature and pressure was developed. Its validity was tested against experimental data collected in this work by using the heat flux burner, as well as measurements retrieved from the current literature. Besides, estimations deriving from existing models considered as the benchmark in the combustion field were compared with the newly generated mechanism. The latter was found to be the most accurate for the investigated conditions and fuels. Most influential species and reactions on the combustion of butyl acetate were identified. The corresponding thermodynamic parameter and rate coefficients were quantified through ab initio calculations. A reduced detailed kinetic mechanism was produced and implemented in an open-source computational fluid dynamics model to characterize pool fires caused by the accidental release of aviation fuel and liquefied natural gas, at first. Eventually, partial oxidation processes involving light alkenes were optimized following the quick, fair, and smoot (QFS) paradigm. The proposed procedure represents a comprehensive and multidisciplinary approach for the construction and validation of accurate models, allowing for the characterization of developing industrial sectors and techniques.