Polymer Electrolyte Membranes

Polymer Electrolyte Membrane (PEM) fuel cells are electrochemical devices that generate power with minimal impact on the environment. The goal of Venkatnathan lab is to calculate various structural and dynamical properties in various PEMs from Molecular Dynamics simulations. Some examples are investigations of the effect of: side chain pendant of PFSA membranes, temperature, choice of dopant (water, phosphoric acid, ionic liquid) and concentration on structure and dynamics. We have investigated proton transport pathways in proton conductors such as imidazole and imidazolium methanesulfonate ion pair in base rich conditions using quantum chemistry calculations.