Effects of high-pressure hydrogen exposure on filler-elastomer adhesion

Wilson, Mark Allen; Winter, Ian S.; Frischknecht, Amalie L.

doi:10.1016/j.ijhydene.2025.05.084

Effects of high-pressure hydrogen exposure on filler-elastomer adhesion

Journal Article · Thu Jun 05 00:00:00 EDT 2025 · International Journal of Hydrogen Energy

DOI:https://doi.org/10.1016/j.ijhydene.2025.05.084· OSTI ID:2585664

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Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Elastomers are known to gain enhanced mechanical properties through compounding with nanosized filler particles such as silica or carbon black. Filler dispersion and filler-polymer interfacial strength are key contributing factors to this improvement. The interfacial strength is critical to part lifetime in pressurized gas sealing applications such as O-rings, where weak binding between the filler particle and polymer matrix can lead to internal void structures. With the aim to build a fundamental understanding of precursors to pressurized hydrogen-induced failure in elastomers, we use all-atom molecular dynamics simulations to study the impact of hydrogen oversaturation on filler-polymer interaction strength. We systematically study the interface between a commonly used elastomer, ethylene-propylene-diene monomer (EPDM) and silica by varying gas concentration, crosslink density, and surface chemistry. Our simulations predict that decompression leads to a localization of excess gas near the interface. In conclusion, we demonstrate that this localized gas can weaken interfacial adhesion and quantify the interaction using thermodynamic approaches.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO)

Grant/Contract Number:: AC05-76RL01830; NA0003525

OSTI ID:: 2585664

Report Number(s):: SAND--2025-07180J; 1762938

Journal Information:: International Journal of Hydrogen Energy, Journal Name: International Journal of Hydrogen Energy Journal Issue: 3 Vol. 144; ISSN 0360-3199

Publisher:: Elsevier BVCopyright Statement

Country of Publication:: United States

Language:: English

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EPDM
Filler-polymer adhesion
High-pressure hydrogen
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Molecular dynamics simulations

Effects of high-pressure hydrogen exposure on filler-elastomer adhesion

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References (43)

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