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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.

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.