Xenon condensation in a harmonic confinement

[Display omitted] •The harmonic confinement leads to a well-defined Hamiltonian and allows for providing the given pressure.•The virial theorem for a non-homogeneous system written in the form of the integral relation.•Xenon condensation isotherms obtained for non-homogeneous systems showed good agr...

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Veröffentlicht in:Chemical physics 2024-04, Vol.580, p.112219, Article 112219
Hauptverfasser: Nazarkin, A.V., Shtelmakh, T.V.
Format: Artikel
Sprache:eng
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Zusammenfassung:[Display omitted] •The harmonic confinement leads to a well-defined Hamiltonian and allows for providing the given pressure.•The virial theorem for a non-homogeneous system written in the form of the integral relation.•Xenon condensation isotherms obtained for non-homogeneous systems showed good agreement with the experimental data. The isotherms of xenon condensation near the critical point were obtained by the molecular dynamics methods. It is proposed to move away from the traditional “the scaled systems” NPT ensemble methods and consider the condensation process in an inhomogeneous harmonic confinement system.
ISSN:0301-0104
DOI:10.1016/j.chemphys.2024.112219