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The development of thermally durable zeolite NH3/Urea-SCR formulations coupled with that of high porosity filters substrates has opened the way to integrate PM and NOx control into a single device, namely an SCR-coated Diesel Particulate Filter (SCRF). A few experimental works are already present in the literature regarding SCRF systems, mainly addressing the DeNOx performances of the system (in both presence and absence of soot) under both steady state and transient conditions. The purpose of the present work is to perform a simulation study focused on phenomena which are expected to play key roles in SCRF systems, such as coupling of reaction and diffusion phenomena, soot effect on DeNOx activity, SCR coating effect on soot regeneration and filtration efficiency and competition between soot oxidation and DeNOx processes involving NO2.

The transient heat transfer behavior of an automotive catalytic converter has been simulated with OpenFOAM in 1D. The model takes into consideration the gas-solid convective heat transfer, axial wall conduction and heat capacity effects in the solid phase, but also the chemical reactions of CO oxidation, based on simplified Arrhenius and Langmuir-Hinshelwood approaches. The associated parameters are the results of data in literature tuned by experiments. Simplified cases of constant flow rates and gas temperatures in the catalyst inflow have been chosen for a comprehensive analysis of the heat and mass transfer phenomena. The impact of inlet flow temperatures and inlet flow rates on the heat up characteristics as well as in the CO emissions have been quantified. A dimensional analysis is proposed and dimensionless temperature difference and space-time coordinates are introduced.

Stoichiometric natural gas (CNG) engines are an attractive solution for heavy-duty vehicles considering their inherent advantage in emitting lower CO2 emissions compared to their Diesel counterparts. Additionally, their aftertreatment system can be simpler and less costly as NOx reduction is handled simultaneously with CO/HC oxidation by a Three-Way Catalyst (TWC). The conversion of methane over a TWC shows a complex behavior, significantly different than non-methane hydrocarbons in stoichiometric gasoline engines. Its performance is maximized in a narrow A/F window and is strongly affected by the lean/rich cycling frequency. Experimental and simulation results indicate that lean-mode efficiency is governed by the palladium’s oxidation state while rich conversion is governed by the gradual formation of carbonaceous compounds which temporarily deactivate the active materials.