抄録
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.
本文言語 | English |
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ページ(範囲) | 1014-1019 |
ページ数 | 6 |
ジャーナル | Journal of Chemical Physics |
巻 | 121 |
号 | 2 |
DOI | |
出版ステータス | Published - 7月 8 2004 |
外部発表 | はい |
ASJC Scopus subject areas
- 物理学および天文学(全般)
- 物理化学および理論化学