Abstract:Herein, nonequilibrium molecular dynamics simulations are conducted to study the hydraulic permeation and vehicle transport of protons in proton exchange membranes (PEMs) with different structures. The results indicate that water molecules and hydronium ions are transported in porous PEMs in the form of clusters. Water molecules are more concentrated in the bulk areas of pores, whereas hydronium ions had a high‐density profile near the pore surface areas since sulfonate ions of the side chain exhibit a stronge… Show more
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