Modeling of Proton Transfer in Polymer Electrolyte Membranes on Different Time and Length Scales

Abstract

Polymer electrolyte membranes (PEMs) are key component materials in fuel cell technology. Understanding the relationship between the elementary acts of proton transport and the operation of the entire cell on different time and length scales is therefore particularly rewarding. We discuss the results of recent atomistic computer simulations of proton transport in porous PEMs. Different models cover the range from individual local proton hops to diffusion processes with polymer mobility included.

Keywords:

• Polymer electrolyte membrane
• Proton transfer
• Molecular dynamics
• Computer simulation
• Fuel cell