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化学学报
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化学学报 ›› 2005, Vol. 63 ›› Issue (1): 11-17. 上一篇    下一篇

研究论文

Yukawa流体的相平衡和界面张力研究

付东*，赵毅   

  1. (华北电力大学环境工程系 保定 071003)
  • 投稿日期:2004-01-12 修回日期:2004-09-01 发布日期:2010-12-10
  • 通讯作者: 付东

Phase Equilibrium and Surface Tension for Yukawa Fluid

FU Dong*, ZHAO Yi   

  1. (Department of Environmental Engineering, North China Electric Power University, Baoding 071003)
  • Received:2004-01-12 Revised:2004-09-01 Published:2010-12-10
  • Contact: FU Dong

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被引次数

32 | 7

应用二阶微扰理论, Duh-Mier-Y-Teran状态方程和在平均球近似(mean spherical approximation, MSA)的基础上获得的直接相关函数, 建立了适用于均匀流体和非均匀流体的状态方程. 结合此状态方程, 重整化群理论(renormalization group theory, RG)和密度泛函理论(density functional theory, DFT), 分别研究了Yukawa流体的相平衡和界面张力. 结果与分子模拟数据吻合良好.

关键词: Yukawa流体, 直接相关函数, 相平衡, 界面张力, 重整化群理论, 密度泛函理论

An equation of state (EOS) applicable to both the uniform and non-uniform fluid was established using the second-order perturbation theory, the Duh-Mier-Y-Teran EOS and the direct correlation function obtained by mean spherical approximation (MSA). The phase equilibrium and the surface tension for Yukawa fluid were studied by combining the EOS, the renormalization group (RG) theory and the density functional theory (DFT). The results agree well with the simulation data.

Key words: Yukawa fluid, direct correlation function, phase equilibrium, surface tension, renormalization group theory, density functional theory