Subcritical Determination of the Frenkel Line in Liquid Nitrogen, the Emergent Final Picture, and a Universal Equation for the Coordination Number of Real Fluids

We performed a series of neutron scattering experiments on deeply subcritical liquid nitrogen at 90 K (0.7<i>T</i><sub><i>C</i></sub>). Our findings, when taken together with our previous results at 160 K (1.27<i>T</i><sub><i>C</i></sub>) and 300 K (2.4<i>T</i><sub><i>C</i></sub>), allow the Frenkel line phenomenon to be characterized in a reliable and consistent manner over an extremely broad temperature range, extending into the subcritical regime. Through an analysis of local order, we show how the fluid structure changes as the Frenkel line is crossed and present a new method for identifying the line. Our determination of coordination numbers shows a remarkable data collapse when plotted against density. This allows us to produce a universal relationship relating the coordination number to the density of a simple fluid, dictated by molecular/atomic size and its density on the melt line.

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Publication Details

Journal
The Journal of Physical Chemistry B
Published
2025-03-25
DOI
https://doi.org/10.1021/acs.jpcb.5c00018
Citations
2
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
Field-Weighted Citation Impact
1.35

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article

Subcritical Determination of the Frenkel Line in Liquid Nitrogen, the Emergent Final Picture, and a Universal Equation for the Coordination Number of Real Fluids

J. S. Loveday, Oliver L. G. Alderman, Llion Jones, Ciprian G. Pruteanu et al.
2 citations
The Journal of Physical Chemistry B
Phase Equilibria and Thermodynamics
1.35
article

Subcritical Determination of the Frenkel Line in Liquid Nitrogen, the Emergent Final Picture, and a Universal Equation for the Coordination Number of Real Fluids

J. S. Loveday, Oliver L. G. Alderman, Llion Jones, Ciprian G. Pruteanu, John E. Proctor, Claire Robertson, Abayomi Daramola, Tianrui Wang, Marcin Kirsz, Graeme J. Ackland
article en
2 citations

Abstract

We performed a series of neutron scattering experiments on deeply subcritical liquid nitrogen at 90 K (0.7<i>T</i><sub><i>C</i></sub>). Our findings, when taken together with our previous results at 160 K (1.27<i>T</i><sub><i>C</i></sub>) and 300 K (2.4<i>T</i><sub><i>C</i></sub>), allow the Frenkel line phenomenon to be characterized in a reliable and consistent manner over an extremely broad temperature range, extending into the subcritical regime. Through an analysis of local order, we show how the fluid structure changes as the Frenkel line is crossed and present a new method for identifying the line. Our determination of coordination numbers shows a remarkable data collapse when plotted against density. This allows us to produce a universal relationship relating the coordination number to the density of a simple fluid, dictated by molecular/atomic size and its density on the melt line.

The Journal of Physical Chemistry BVol. 129(13)
Rutherford Appleton Laboratory (GB), University of Manchester (GB), Photonic Science (United Kingdom) (GB), Materials Research Group (United States) (US), University of Salford (GB), University of Edinburgh (GB)
European Research Council
Openalex Percentile: Top 21%
Phase Equilibria and Thermodynamics
1.35
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