Key design and layout factors influencing performance of three-way catalytic converters: Experimental and semidecoupled numerical study under real-life driving conditions

The optimization of three-way catalyst (TWC) design and layout is important for reducing mobile source emissions and requires numerical modeling. To date, the high computational cost of accurate models has inspired the development of numerous tradeoff approaches; however, none of them is fully satisfactory. To address this gap, we herein theoretically and experimentally explore the key design and layout factors influencing TWC performance under transient driving conditions, starting with the optimization and verification of a simplified reaction mechanism. This mechanism is used to construct a semidecoupled posttreatment GT-Power model featuring boundary conditions derived from experimental and upstream engine modeling results, and experiments on a real engine are carried out to evaluate the model accuracy. The performance of three posttreatment systems is analyzed to identify the key performance-affecting parameters, and the following conclusions are drawn.(1) For a single reactor, cell density is the most important factor influencing pressure loss.(2) The exhaust temperature rapidly decreases in the longitudinal direction of the reactor in the initial start stage, although the reaction rate always decreases in this direction during the whole cycle.(3) One-dimensional plug-flow reactor simulations do not account for inhomogeneity and local turbulence, thus overestimating the performance of large reactors.(4) Under the employed conditions, the exhaust temperature is sufficiently high for pollutant conversion, although the efficiency of this conversion often decreases in the high-speed stage. Moreover, we show that highspeed adaptation can be enhanced by increasing the crosswise size of the reactor and propose a new reactor structure. Compared with our model, this structure is characterized by a lower catalyst loading and NOx conversion efficiency but achieves higher hydrocarbon and CO conversion efficiencies. Thus, our study provides a useful and effective method for evaluating the design/layout of posttreatment devices and facilitates the development of more efficient TWCs, contributing to the establishment of a more ecofriendly society.