ISIS Neutron and Muon Source Data Journal

Confirming H2 Occupancy (Single/Multiple) in Clathrate Cages of Gas Hydrates in Nano-Confined Space Under Low Pressure via Neutron Diffraction (Rapid Access)

Abstract: Blending natural gas (CH? + C?H?) with H? shows promise for efficient, lower-pressure H? storage in gas hydrates. However, further pressure reduction is necessary to achieve commercial viability for storage and transportation. Gas hydrates are high-density crystalline structures that typically form under high-pressure, low-temperature conditions. The most common cubic crystal structure, with a 1.2 nm lattice parameter, allows water molecules to form cavities stabilized by hydrogen bonds, which are occupied by gas molecules further stabilized by Van der Waals forces. Existing studies show that pure H? hydrates are formed at extremely high pressures (up to 200 MPa). However, when CH? and C?H? are mixed with hydrogen, H? can be stored in hydrate cages at a significantly reduced pressure of 20 MPa. These results, however, are only valid in bulk media. The presence of water-impregnated mesoporous activated carbon would enable a further reduction in the pressure required. This novel approach, previously unexplored, will require neutron diffraction to confirm H? occupancy in hydrate crystals within nanoconfined spaces (pore siz < 2 nm). We aim to demonstrate and confirm the formation of mixed hydrates based on a CH?/C?H?/H? gas mixture and the occupancy of H? in hydrate cages at pressures below 200 bar. Detailed discussions have been conducted with Dr. Nick Funnell, Dr. Christopher Howard, and Dr. Craig Bull. This proposal is submitted for rapid access based on their recommendation.

Principal Investigator: Dr Jyoti Shanker Pandey
Experimenter: Mr Víctor Ramírez
Experimenter: Dr Paola Caterina Forino
Experimenter: Dr Mariusz Kubus
Experimenter: Mr Alasdair Nicholls
Local Contact: Dr Ivan da Silva Gonzalez
Experimenter: Professor Joaquin Silvestre-Albero
Experimenter: Ms Lise Hanson

DOI: 10.5286/ISIS.E.RB2400059

ISIS Experiment Number: RB2400059

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Jyoti Shanker Pandey et al; (2025): Confirming H2 Occupancy (Single/Multiple) in Clathrate Cages of Gas Hydrates in Nano-Confined Space Under Low Pressure via Neutron Diffraction (Rapid Access), STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2400059

Data is released under the CC-BY-4.0 license.