Open access
Oct 2026
Hydrogen storage and diffusion in shale nanopores: molecular dynamics effects of pressure, temperature, confinement, and wall chemistry
Underground hydrogen storage in shale is governed by pore occupancy, interfacial interactions, and molecular diffusion. This study examines their combined effects on hydrogen retention and transport. Molecular dynamics simulations were performed for five mineral slit-pore models and type I–III kerogen pores....
Yang Xu, Xin Zhang, Hao Wang et al.
· Frontiers in Earth Science · 0 citations