A density-functional study for the liquid-vapor coexistence curve of nitrogen fluid

Tomonari Sumi, Hideaki Shirahama, Hideo Sekino

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The density functional theory for correlation of homonuclear diatomic fluids to predict the liquid vapor coexistence curve of nitrogen fluid was investigated. The pressure and chemical potential was calculated using thermodynamic integrations of the isotherm compressibility and of the excess internal energy. The predicted liquid-vapor coexistence curves and their diameters in scaled temperatures are studied. The two predictions from the thermodynamic integrations provide different equilibrium densities. It was found that the thermodynamic integration with T s=300K provided the better prediction of the liquid-vapor coexistence curves of N2.

Original languageEnglish
Pages (from-to)1014-1019
Number of pages6
JournalThe Journal of Chemical Physics
Volume121
Issue number2
DOIs
Publication statusPublished - Jul 8 2004
Externally publishedYes

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Nitrogen
Vapors
Thermodynamics
vapors
nitrogen
thermodynamics
Fluids
fluids
Liquids
curves
liquids
Chemical potential
predictions
internal energy
Compressibility
compressibility
Density functional theory
Isotherms
isotherms
density functional theory

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A density-functional study for the liquid-vapor coexistence curve of nitrogen fluid. / Sumi, Tomonari; Shirahama, Hideaki; Sekino, Hideo.

In: The Journal of Chemical Physics, Vol. 121, No. 2, 08.07.2004, p. 1014-1019.

Research output: Contribution to journalArticle

Sumi, Tomonari ; Shirahama, Hideaki ; Sekino, Hideo. / A density-functional study for the liquid-vapor coexistence curve of nitrogen fluid. In: The Journal of Chemical Physics. 2004 ; Vol. 121, No. 2. pp. 1014-1019.
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