Data-Driven Multivariate Characterization of Hydrogen-Induced Response Evolution in EPDM, NBR, and FKM Elastomers

Hydrogen-compatible elastomeric seals are critical for the reliability and safety of high-pressure hydrogen infrastructure. However, hydrogen exposure can alter the mechanical response and surface condition of elastomeric materials through coupled transport-mechanical interactions. This study presents a comparative experimental and data-driven investigation of the pressure-dependent degradation behavior of ethylene propylene diene monomer (EPDM), nitrile butadiene rubber (NBR), and fluorocarbon elastomer (FKM) O-ring seals following 192 h exposure to hydrogen pressures ranging from 800 to 7000 psi at room temperature. Tensile testing was performed directly on complete O-ring geometries, and descriptor-based analysis was used to quantify peak-response behavior, energy absorption, stiffness evolution, and normalized deformation characteristics. Multivariate statistical methods, principal component analysis (PCA), clustering analysis, and Random Forest regression were applied to identify material-specific degradation patterns. NBR maintained the highest overall load-bearing capability and stiffness-related response across the investigated pressure range, whereas EPDM exhibited more compliant and non-monotonic deformation behavior. FKM showed the strongest pressure sensitivity, with substantial increases in force- and stiffness-related descriptors at elevated hydrogen pressures. Optical image analysis revealed pronounced increases in defect density and defect area fraction for NBR, while FKM exhibited comparatively stable surface-state behavior. PCA and clustering analyses identified distinct material-dependent degradation trajectories, and Random Forest regression achieved an R² value of 0.888 for energy-absorption prediction. The results demonstrate that hydrogen-induced degradation emerges through coupled interactions among stiffness evolution, deformation progression, energy absorption, and surface-state changes, providing a comparative framework for assessing elastomer performance in hydrogen environments.