Hop, Skip, and Jump: Hydrogen Molecular Transport through Amorphous Polyethylene Matrices Studied via Molecular Dynamics Simulations.

ABSTRACT: In the pursuit of advancing and diversifying energy technologies for a more sustainable future, the possibilities of hydrogen (H₂) usage will broaden, as will our understanding of its containment materials. Polyethylene (PE) has a vast assortment of uses and applications, which are growing with demands for alternative energy possibilities. One use of PE liner is as a prime candidate for nonmetallic piping and pressurized type IV storage devices. Such applications require PE to effectively prevent H₂ transport through containment systems. To study the molecular transport mechanism of hydrogen through polymeric barriers, a system containing hydrogen molecules absorbed within amorphous PE is modeled here using molecular dynamics simulations. The simulations are conducted

SUBMITTER: Divine-Ayela C 

PROVIDER: S-EPMC10682999 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature