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Peer-reviewedCC BY-NC-NDThe journal of physical chemistry letters

A High-Density Supercritical Fluid of H2.

  • Atsuko Nakayama1
  • Naoto Fujii2
  • Koji Hirama2
  • Kentaro Hamada2
  • Katsuya Shimizu3,4
  • Yuki Nakamoto3
  • Satoshi Nakano5
  • Saori Kawaguchi-Imada6,7
  • Yuichi Akahama8
  • Ayako Ohmura9
9 affiliations
  1. 1Department of Mathematical Science and Physics, Faculty of Science and Engineering, Iwate University, 4-3-5 Ueda, Morioka, Iwate020-8551, Japan.
  2. 2Graduate School of Arts and Science, Iwate University, 4-3-5 Ueda, Morioka, Iwate020-8551, Japan.
  3. 3KYOKUGEN, Center for Science and Technology under Extreme Conditions, The University of Osaka, Machikaneyama 1-3, Toyonaka, Osaka560-8531, Japan.
  4. 4Geodynamics Research Center, Ehime University, 2-5 Bunkyo-Cho, Matsuyama, Ehime790-8577, Japan.
  5. 5National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba, Ibaraki305-0044, Japan.
  6. 6Diffraction and Scattering Division, Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo679-5198, Japan.
  7. 7Office of Institutional Advancement and Communications, Kyoto University, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo679-5198, Japan.
  8. 8Graduate School of Material Science, University of Hyogo, 3-2-1 Kamigohri, Hyogo678-1297, Japan.
  9. 9Faculty of Science, Niigata University, 8050 Ikarashi 2-no-cho, Nishi-ku, Niigata950-2181, Japan.
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Abstract

This study aimed to elucidate the structural evolution of supercritical fluid hydrogen (SCF H2) under high pressure. X-ray diffraction was performed on SCF H2 using synchrotron radiation at room temperature. The structure factor S(Q) was observed in a low-Q region at each pressure, revealing a crossover at around 0.56 GPa, consistent with our previous Raman spectroscopy results. The average volume per molecule was calculated at each pressure using the center-to-center distance between the nearest neighboring H2 molecules, reflecting van der Waals interactions and compression of the internuclear distance. The volumes calculated from the face-centered cubic model were consistent with those derived from the cited equation of state, with a slight discrepancy that increased gradually with the pressure. This finding indicates that further densification following the crossover occurs primarily by intra-atomic/molecular mechanisms rather than intermolecular shortening of distances, which cannot be adequately explained by the close-packed coordination model alone.

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Cite

BibTeXRIS
BibTeX
@article{nakayama2026highdensity,
  title = {{A High-Density Supercritical Fluid of H2.}},
  author = {Atsuko Nakayama and Naoto Fujii and Koji Hirama and Kentaro Hamada and Katsuya Shimizu and Yuki Nakamoto and Satoshi Nakano and Saori Kawaguchi-Imada and Yuichi Akahama and Ayako Ohmura},
  journal = {The journal of physical chemistry letters},
  year = {2026},
  month = oct,
  doi = {10.1021/acs.jpclett.6c02439},
  url = {https://europepmc.org/article/MED/42918214},
  note = {CC BY-NC-ND},
}
RIS
TY  - JOUR
TI  - A High-Density Supercritical Fluid of H2.
AU  - Atsuko Nakayama
AU  - Naoto Fujii
AU  - Koji Hirama
AU  - Kentaro Hamada
AU  - Katsuya Shimizu
AU  - Yuki Nakamoto
AU  - Satoshi Nakano
AU  - Saori Kawaguchi-Imada
AU  - Yuichi Akahama
AU  - Ayako Ohmura
PY  - 2026
DA  - 2026/10/01
JO  - The journal of physical chemistry letters
DO  - 10.1021/acs.jpclett.6c02439
UR  - https://europepmc.org/article/MED/42918214
AB  - This study aimed to elucidate the structural evolution of supercritical fluid hydrogen (SCF H2) under high pressure. X-ray diffraction was performed on SCF H2 using synchrotron radiation at room temperature. The structure factor S(Q) was observed in a low-Q region at each pressure, revealing a crossover at around 0.56 GPa, consistent with our previous Raman spectroscopy results. The average volume per molecule was calculated at each pressure using the center-to-center distance between the nearest neighboring H2 molecules, reflecting van der Waals interactions and compression of the internuclear distance. The volumes calculated from the face-centered cubic model were consistent with those derived from the cited equation of state, with a slight discrepancy that increased gradually with the pressure. This finding indicates that further densification following the crossover occurs primarily by intra-atomic/molecular mechanisms rather than intermolecular shortening of distances, which cannot be adequately explained by the close-packed coordination model alone.
SN  - 1948-7185
ER  -