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Catalyzed Diesel Particulate Filters (CDPFs) continue to be an important emission control solution and are now also expanding to include additional functionalities such as gas species oxidation (such as CO, hydrocarbons and NO) and even storage phenomena (such as NOx and NH3 storage). Therefore an in depth understanding of the coupled transport - reaction phenomena occurring inside a CDPF wall can provide useful guidance for catalyst placement and improved accuracy over idealized effective medium 1-D and 0-D models for CDPF operation. In the present work a previously developed 3-D simulation framework for porous materials is applied to the case of NO-NO2 turnover in a granular silicon carbide CDPF. The detailed geometry of the CDPF wall is digitally reconstructed and micro-simulation methods are used to obtain detailed descriptions of the concentration and transport of the NO and NO2 species in the reacting environment of the soot cake and the catalyst coated pores of the CDPF wall.

Diesel particulate trap regeneration is a complex process involving the interaction of phenomena at several scales. A hierarchy of models for the relevant physicochemical processes at the different scales of the problem (porous wall, filter channel, entire trap) is employed to obtain a rigorous description of the process in a multidimensional context. The final model structure is validated against experiments, resulting in a powerful tool for the computer-aided study of the regeneration behavior. In the present work we employ this tool to address the effect of various spatial non-uniformities on the regeneration characteristics of diesel particulate traps. Non-uniformities may include radial variations of flow, temperature and particulate concentration at the filter inlet, as well as variations of particulate loading. In addition, we study the influence of the distribution of catalytic activity along the filter wall.

Despite the great effort devoted to the modeling of the operation of catalytic DPFs, even today very simple expressions are used for the soot oxidation rate. In the relevant to DPF operation case of a gas phase rich in oxygen, the structure of the soot-catalyst geometry and its evolution during oxidation determines the reaction rate. An extensive set of controlled experiments (isothermal or with linear temperature increase) using fuel borne catalysts and catalytic coatings has been performed in order to obtain corresponding soot oxidation rate-conversion curves. The shape of the resulting curves cannot be described by the typical theories for solid phase reactions posing the need for microstructural models for the micromechanics of soot catalyst interactions.

The EU emission standards for new rail Diesel engines are becoming even more stringent. EGR and SCR technologies can both be used to reduce NOx emissions; however, the use of EGR is usually accompanied by an increase in PM emissions and may require a DPF. On the other hand, the use of SCR requires on-board storage of urea. Thus, it is necessary to study these trade-offs in order to understand how these technologies can best be used in rail applications to meet new emission standards. The present study assesses the application of these technologies in Diesel railcars on a quantitative basis using one and three dimensional numerical simulation tools. In particular, the study considers a 560 kW railcar engine with the use of either EGR or SCR based solutions for NOx reduction. The NOx and PM emissions performances are evaluated over the C1 homologation cycle.