Effect of chain structure evolution on the nonlinear mechanical behavior and failure evolution of proton exchange membranes

S Yang and GQ Sun and ZX Zhang and H Tan and XX Wang and MD Chen, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 161, 150589 (2025).

DOI: 10.1016/j.ijhydene.2025.150589

The mechanical degradation and failure of proton exchange membranes (PEMs) significantly affect the durability of PEM water electrolyzers. This study investigates the failure evolution of PEM defects under mechanical loading by combining molecular dynamics (MD) simulations and tensile tests to analyze structural changes and mechanical behavior. MD simulations reveal that mechanical stress and hygro-thermal conditions induce chain untangling, forming nanoscale micro-cavities and reducing mechanical performance. Tensile tests confirm that the physical properties degrade at higher temperatures and humidity. Furthermore, in a water-soaked environment at 338K, the applied load should not exceed 4.16 MPa to prevent plastic deformation. Scanning electron microscopy (SEM) observations show that water-soaked PEMs produce bump damage at 6 MPa, which progresses into microcracks under higher loads. Although the higher load could improve the electrochemical performance of the PEM, it was necessary to reduce the load to reduce the damage to the PEM and extend its lifetime.

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