Abstract
As a highly efficient and cost-saving approach, modeling is significantly important in the development of proton-exchange membrane fuel cells (PEMFCs). With the rapid development of computer technologies in the past three decades, PEMFC models have been upgraded from simple one-dimensional single-cell models to sophisticated three-dimensional multi-physics and multiphase fuel cell stack models, leading to the wider application of modeling in the diagnosis, design, optimization, and development of novel PEMFCs. This chapter provides the chronological development of PEMFC modeling approaches with a focus on those in modeling the catalyst layer and water formation and transport inside the PEMFCs. Numerical optimizations of PEMFCs with respect to electrodes, flow fields, fuel cell stacks, and operating conditions are summarized. The multivariable optimization and data-driven modeling are also introduced in this chapter.