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In the recent years, the interest in heavy-duty engines fueled with Compressed Natural Gas (CNG) is increasing due to the necessity to comply with the stringent CO2 limitation imposed by national and international regulations. Indeed, the reduced number of carbon atoms of the NG molecule allows to reduce the CO2 emissions compared to a conventional fuel. The possibility to produce synthetic methane from renewable energy sources, or bio-methane from agricultural biomass and/or animal waste, contributes to support the switch from conventional liquid fuels to CNG. To drive the engine development and reduce the time-to-market, the employment of numerical analysis is mandatory. This requires a continuous improvement of the simulation models toward real predictive analyses able to reduce the experimental R&D efforts. In this framework, 1D numerical codes are fundamental tools for system design, energy management optimization, and so on.

A growing interest towards heavy-duty engines powered with NG, dictated by stringent regulations in terms of emissions, has made it essential to study a specific Three-Way Catalyst (TWC). Oxygen storage phenomena characterize the catalytic converter efficiency under real world driving operating conditions and, consequently, during strong dynamics in Air-to-Fuel ratio (AFR). A numerical “quasi-steady” model has been set-up to simulate the chemical process inside the reactor. A dedicated experimental campaign has been performed in order to evaluate the catalyst response to a defined λ variation, thus providing the data necessary for the numerical model validation. In fact, goal of the present research activity was to investigate the effect of very fast composition transitions of the engine exhaust typical of the mentioned driving conditions (including fuel cutoffs etc.) on the catalyst performance and on related emissions.

Research activities in the development of reliable computational models for aftertreatment systems are constantly increasing in the automotive field. These investigations are essential in order to get a complete understanding of the main catalytic processes which clearly have a great impact on tailpipe emissions. In this work, a 1D chemical reaction model to simulate the catalytic activity of a Pd/Rh Three-Way Catalyst (TWC) for a Natural Gas heavy-duty engine is presented. An extensive database of tests carried out with the use of a Synthetic Gas Bench (SGB) has been collected to investigate the methane abatement pathways, linked to the lambda variation and oxide formation on palladium surface. Specific steady-state tests have shown a dynamics of the methane conversion even at fixed λ and temperature conditions, essentially due to the Pd/PdO ratio.

Premixed combustion modes in compression ignition engines are studied as a promising solution to meet fuel economy and increasingly stringent emissions regulations. Nevertheless, PCCI combustion systems are not yet consolidated enough for practical applications. The high complexity of such combustion systems in terms of both air-fuel charge preparation and combustion process control requires the employment of robust and reliable numerical tools to provide adequate comprehension of the phenomena. Object of this work is the development and validation of suitable models to evaluate the effects of charge premixing levels in diesel combustion. This activity was performed using the Lib-ICE code, which is a set of applications and libraries for IC engine simulations developed using the OpenFOAM® technology.