Zachary Tobin with Philip Taylor

Computer Modeling of Ionomer Membranes Under Fuel Cell Conditions

An ionomer membrane is the central component of a polymer electrolyte membrane fuel cell.  Its purpose is to separate reactants while only allowing one specific ion to pass through it.  In the case of a hydrogen fuel cell, the reactants are hydrogen gas and oxygen gas.  Hydrogen gas is split into its composite protons and electrons, and the protons are allowed to pass through the membrane. While there is theory for the flow of protons through the membrane, little is really known about the mechanisms at work and their relative strengths.  The goal of this project is to determine the importance of the various mechanisms at work in proton transport through the membrane.  This will be done by developing a simplified theoretical model of the forces and energies in the substructure of the membrane.  This model will then be used to run computer simulations of the membrane under conditions emulating a fuel cell.