Novel modified polyethersulfone high temperature and low humidity fuel cell membrane: Experimental and simulation study

Abstract

AbstractThe present study focuses on synthesizing a high‐temperature stable membrane working under low relative humidity (RH) by aminating the traditional polyethersulfone polymer with aniline for fuel cell applications. A condensed‐phase optimized molecular potentials for atomistic simulation studies force field‐based molecular dynamics simulation was used to explore the microscopic properties and transport of water and hydronium (H3O+) ions across the electrolyte at varied temperatures and RHs. COMSOL calculates oxygen and hydrogen concentrations after examining the polymer–ion interaction with the radial distribution function (RDF). The high H3O+ diffusion coefficient of the aniline‐treated membrane shows the benefit of the modification. The RDF confirmed the high interaction of the amine group with H3O+ and water. The high proton conductivity of 0.18 Scm−1 at 150°C with 33% RH for the aniline‐treated membrane was obtained, which was further investigated in COMSOL software to determine the hydrogen and oxygen concentration at the anode and cathode sides, respectively. Both electrodes' water transportation profiles were simulated numerically. The aniline‐treated membrane's good findings suggest high‐temperature proton exchange fuel cell membrane potential.