# A High-DensitySupercritical Fluid of H2

https://mdr.nims.go.jp/datasets/11d01077-af9e-493f-a144-49ece70a39dd

## File

- [acs.jpclett.6c02439.pdf](https://mdr.nims.go.jp/filesets/1d0d9c0b-2b35-4f6a-9b5a-85f5bbd41f15/download) ([Detail](https://mdr.nims.go.jp/filesets/1d0d9c0b-2b35-4f6a-9b5a-85f5bbd41f15.md))
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## Id

11d01077-af9e-493f-a144-49ece70a39dd

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-10-16T05:04:08.776323Z

## Updated at

2026-10-16T05:15:02.939845Z

## Published at

2026-10-19T01:30:06.361072Z

## Doi



## First published url

https://doi.org/10.1021/acs.jpclett.6c02439

## Date published

2026-10-15

## Recorded date published

2026-10-15

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: |-
    A High-Density
    Supercritical Fluid of H2
  title_type: original
  lang: en

## Description

- description: 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. Diffraction peaks of structural
    factors S(Q) were observed at a low-Q region under 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 proceeds via pressurization
    following the crossover, which cannot be adequately explained by the close-packed
    coordination model alone.
  description_type: abstract
  lang: und

## Creator

- name: Atsuko Nakayama
  role: author
  orcid: https://orcid.org/0009-0002-0016-3750
- name: Naoto Fujii
  role: author
- name: Koji Hirama
  role: author
- name: Kentaro Hamada
  role: author
- name: Katsuya Shimizu
  role: author
  orcid: https://orcid.org/0000-0003-0560-8325
- name: Yuki Nakamoto
  role: author
- name: Satoshi Nakano
  role: author
  orcid: https://orcid.org/0000-0002-7010-9867
- name: Saori Kawaguchi-Imada
  role: author
- name: Yuichi Akahama
  role: author
  orcid: https://orcid.org/0000-0003-2736-9855
- name: Ayako Ohmura
  role: author

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: hydrogen
  schema: not_defined
- subject: supercritical fluid
  schema: not_defined
- subject: high pressure
  schema: not_defined
- subject: x-ray diffraction
  schema: not_defined
- subject: Frenkel line
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by-nc-nd/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: |-
    The Journal of Physical
    Chemistry Letters
  issn: '19487185'
  volume: '17'
  issue: '41'
  start_page: 11754
  end_page: 11759

## Conference



## Related item



## Funding

- identifier: JP1A24K014270
  funder_name: JSPS KAKENHI
  description: 水素の超臨界流体相で生じるオルソ-パラ転換
- identifier: 2025-073
  funder_name: NIMS連携拠点推進制度
  description: 水素のオルソ-パラ転換をもたらす高密度超臨界流体相の探索

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

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## Thumbnail

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filename: jz6c02439_si_001.docx