The consortium initially defined the technical specifications for the design and the full scale synthesis of the combined GPF/TWC. Regarding the multiscale modelling the team focused on the prediction of the properties of various types of catalysts and on the DFT modeling of base reactions. Key objectives were to identify the predictive descriptors of the catalytic efficiency and to provide input for the ration synthesis of the catalysts. Additionally, the team simulated the performance and provided a tool for design and scale-up of the GFP/TWC that would allow the optimization of the full-size converter features (dimensions, shape, channels density, porosity, distribution of catalytic material etc.). In parallel the team tried to link the various models across different length scales. The main outcome was a proof of concept implementation of microkinetics into 3D microscale models of permeation-diffusion-reaction in the filter wall coated with a porous catalyst.
The synthesis team, based on the input from modelling activities, focused on the development of novel catalysts, while performance evaluation measurements were carried out using simulated feed gas composition. A large number of catalysts were prepared and evaluated. These results enabled the consortium to identify the most promising catalysts and to proceed with their optimisation, emphasizing also on their upscalability.
These outcomes were used for the design and the production of the full scale GPF/TWC prototypes. The consortium succeeded in the upscaling of the selected materials and finally 6 full scale prototypes were developed and evaluated using a novel engine exhaust canning system. In parallel coating studies were performed to determine the optimum coating parameters. Additional testing, as well as novel mathematical models, has been applied to provide further knowledge on coating process. Furthermore, the team was focused on providing fundamental understanding of GDI engine particulate matter and the structure of porous substrates for GPFs.
Trying to set up a business case for the commercialization of the novel GPF/TWC, Life Cycle Assessment (LCA) was essential to analyze, evaluate, understand and manage the environmental effects. The team also performed in vitro toxicity tests to assess the health effects of the proposed combined after treatment system. Additionally, the consortium studied the effective recovery of the recovery of CRMs from deactivated automotive catalysts and exploited the PGMs leaching process from raw deactivated catalysts.
Dissemination was implemented with oral and posters presentations in relevant events, as well as a relevant number of publications in scientific journals. The Summerschool “Novel Automotive Catalysts production – materials modelling and synthesis, characterisation, scale-up and industrial process” was organized in Albarella (IT) on 17-20 June 2019, and joint workshop “CRITICAL RAW MATERIALS REDUCTION IN CATALYSIS Academia meets industry, research results and future developments” with the parallel project CritCat was organized in Braga on 11-12 April 2019 in Braga (PT) within the Common Dissemination Booster Initiative. Both events were opportunities for networking and exchange on both scientific and societal implications of the project results.
