High-pressure hydrogen decompression in sulfur crosslinked elastomers

Wilson, Mark A.; Frischknecht, Amalie L.

doi:10.1016/j.ijhydene.2022.03.015

High-pressure hydrogen decompression in sulfur crosslinked elastomers

Journal Article · Fri Apr 01 00:00:00 EDT 2022 · International Journal of Hydrogen Energy

DOI:https://doi.org/10.1016/j.ijhydene.2022.03.015· OSTI ID:1870477

^[1]; Frischknecht, Amalie L. ^[1]

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

High-pressure storage and cyclic (de)pressurization of hydrogen gas is known to result in degradation and failure of gas canisters, hoses, linings, and O-rings as the relatively small hydrogen molecule can readily permeate most materials. Hence, identifying material compositions that are less susceptible to hydrogen-induced damage is of significant importance to the hydrogen energy infrastructure. Here, we use classical atomistic molecular dynamics simulations to study hydrogen exposed ethylene-propylene-diene monomer (EPDM) rubber, an elastomer typically used in O-rings. We make chemical modifications to the model by adjusting the crosslink density and report on gas solubility, diffusivity, and molecular restructuring in response to rapid decompression. Our simulations indicate that increases in crosslink density can reduce volumetric expansion during decompression and result in smaller free volume pore sizes. However, these favorable properties for sealing materials come with a tradeoff. At pressure, crosslinks introduce extra free volume, providing potential sites for gas localization, the precursor to cavitation-induced failure.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Fuel Cell Technologies Program

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

OSTI ID:: 1870477

Report Number(s):: SAND2022-4219J; 704832

Journal Information:: International Journal of Hydrogen Energy, Journal Name: International Journal of Hydrogen Energy Journal Issue: 33 Vol. 47; ISSN 0360-3199

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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