The Widom line in two- and three-dimensional fluids: Similarities and differences

We compute the properties of four systems across a broad range of thermodynamic parameters, traversing the Widom delta region. This allows us to trace the structural evolution of a supercritical fluid as its density increases from gas-like to liquid-like values. For the first time, we determine the Widom line for a two-dimensional Lennard-Jones fluid and compare it with its three-dimensional counterpart. Furthermore, we analyze the probability distribution of Voronoi cell volumes and contrast the Voronoi volume of individual particles with the system's average volume. Finally, we identify universal properties in the behavior of supercritical fluids for the Lennard-Jones system, methanol, and water.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-11-03
DOI
https://doi.org/10.1063/5.0298557
Primary Topic
Phase Equilibria and Thermodynamics
Type
article
Field-Weighted Citation Impact
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article

The Widom line in two- and three-dimensional fluids: Similarities and differences

V. N. Ryzhov, E. N. Tsiok, Yury D. Fomin
The Journal of Chemical Physics
Phase Equilibria and Thermodynamics
article

The Widom line in two- and three-dimensional fluids: Similarities and differences

V. N. Ryzhov, E. N. Tsiok, Yury D. Fomin
article en

Abstract

We compute the properties of four systems across a broad range of thermodynamic parameters, traversing the Widom delta region. This allows us to trace the structural evolution of a supercritical fluid as its density increases from gas-like to liquid-like values. For the first time, we determine the Widom line for a two-dimensional Lennard-Jones fluid and compare it with its three-dimensional counterpart. Furthermore, we analyze the probability distribution of Voronoi cell volumes and contrast the Voronoi volume of individual particles with the system's average volume. Finally, we identify universal properties in the behavior of supercritical fluids for the Lennard-Jones system, methanol, and water.

The Journal of Chemical PhysicsVol. 163(17)
Institute for High Pressure Physics (RU)
Openalex Percentile: Top 69%
Phase Equilibria and Thermodynamics
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