Modelling IR Spectra of Sulfonated Polyether Ether Ketone (SPEEK) Membranes for Fuel Cells

Abstract

SPEEK (sulfonated polyether ether ketone) membranes have been prepared and characterized. The SPEEK membrane geometry and theoretical vibration spectra calculated using density functional theory (DFT) as depending from membrane chain length and polymer cross-linking. Analyzed the limitations of the method by comparing theoretical and experimental IR spectra.