(702c) A Molecular Dynamics Simulation Study of Hydrated Sulfonated Poly (Ether Ether Ketone) for Application to Polymer Electrolyte Membrane Fuel Cells

Jang, S. S., Georgia Institute of Technology
Brunello, G. F., Georgia Institute of Technology

S-PEEK has been known as one of the promising candidates for fuel cell application since it has high thermo-oxidative stability and extraordinary mechanical properties as well as high cost effectiveness. However, the nanoscale structure and transport properties for S-PEEK have not been thoroughly reported at molecular level. Through this study, we have investigated the the nanophase-segregated structure of hydrated S-PEEK membrane using atomistic molecular dynamics simulation method. We will present the effect of water content and temperature on the nanophase-segregation and water transport of the hydrated S-PEEK membrane. The simulation results for the S-PEEK membrane are discussed in comparison with the experimental data available in the literatures as well as those for the Nafion membrane.