Nuclear magnetic resonance and molecular simulation study of H2 and CH4 adsorption onto shale and sandstone for hydrogen geological storage

Ho, Tuan A.; Dang, Son T.; Dasgupta, Nabankur; Choudhary, Aditya; Rai, Chandra S.; Wang, Yifeng

doi:10.1016/j.ijhydene.2023.11.011

Title: Nuclear magnetic resonance and molecular simulation study of H₂ and CH₄ adsorption onto shale and sandstone for hydrogen geological storage

Journal Article · 07 November 2023 · International Journal of Hydrogen Energy

DOI: https://doi.org/10.1016/j.ijhydene.2023.11.011 · OSTI ID:2311392

^[1];

^[1]; Dasgupta, Nabankur ^[1];

^[1]; Rai, Chandra S. ^[2]; Wang, Yifeng ^[1]

Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Univ. of Oklahoma, Norman, OK (United States)

Understanding pure H₂ and H₂/CH₄ adsorption and diffusion in earth materials is one vital step toward a successful and safe H₂ storage in depleted gas reservoirs. Despite recent research efforts such understanding is far from complete. In this work we first use Nuclear Magnetic Resonance (NMR) experiments to study the NMR response of injected H₂ into Duvernay shale and Berea sandstone samples, representing materials in confining and storage zones. Then we use molecular simulations to investigate H₂/CH₄ competitive adsorption and diffusion in kerogen, a common component of shale. Our results indicate that in shale there are two H₂ populations, i.e., free H₂ and adsorbed H₂, that yield very distinct NMR responses. However, only free gas presents in sandstone that yields a H₂ NMR response similar to that of bulk H₂. About 10 % of injected H₂ can be lost due to adsorption/desorption hysteresis in shale, and no H₂ loss (no hysteresis) is observed in sandstone. Here, our molecular simulation results support our NMR results that there are two H₂ populations in nanoporous materials (kerogen). The simulation results also indicate that CH₄ outcompetes H₂ in adsorption onto kerogen, due to stronger CH₄-kerogen interactions than H₂-kerogen interactions. Nevertheless, in a depleted gas reservoir with low CH₄ gas pressure, about ~30 % of residual CH₄ can be desorbed upon H₂ injection. The simulation results also predict that H₂ diffusion in porous kerogen is about one order of magnitude higher than that of CH₄ and CO₂. This work provides an understanding of H₂/CH₄ behaviors in deleted gas reservoirs upon H₂ injection and predictions of H₂ loss and CH₄ desorption in H₂ storage.

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

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: NA0003525

OSTI ID:: 2311392

Report Number(s):: SAND--2024-01769J

Journal Information:: International Journal of Hydrogen Energy, Journal Name: International Journal of Hydrogen Energy Journal Issue: 1 Vol. 51; ISSN 0360-3199

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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