Multiscale Modeling of Catalytic Converters

Catalytic converters are essential automotive devices that transform harmful products of combustion generated by internal combustion engines into less toxic gases in compliance with environmental regulations. Chemical reactions through catalysts enable the conversion of toxic products of combustion. However, the materials required for catalytic converters are expensive, making it necessary to minimize cost while maximizing performance, reliability, and robustness. In this chapter, we begin with a general description of the types of catalytic converters, enumerate the chemistry behind catalytic converters, highlight analytical tools available to evaluate the performance of materials and catalysts, detail the computational fluid dynamics (CFD) tools, and describe how these can be used to evaluate the performance of catalytic converters both at the component level and under installed conditions. Therefore, the available analytical tools that model a catalytic converter at different scales from the molecular to the vehicular level can be used to reduce the time and costs of the design process for the catalytic converter.