化工学报 ›› 2003, Vol. 54 ›› Issue (1): 18-23.

• 热力学 • 上一篇    下一篇

应用重整化群理论计算超临界水的性质

段黎萍;陆九芳;陈健;李以圭   

  1. 清华大学化学工程系
  • 出版日期:2003-01-25 发布日期:2003-01-25

APPLICATION OF RENORMALIZATION GROUP THEORY TO CRITICAL BEHAVIOR OF WATER

DUAN Liping;LU Jiufang;CHEN Jian;LI Yigui   

  • Online:2003-01-25 Published:2003-01-25

摘要: 采用重整化群理论计算了超临界水的性质.计算中考虑了密度涨落影响,水分子之间的势能采用Stockmayer函数.由临界温度回归得到的分子参数用来预测水在超临界和近临界区的热力学性质,并与实验结果进行比较.结果表明所采用的方法适合于预测水的超临界和近临界的热力学性质.

关键词:

重整化群理论, Stockmayer势能函数, 临界现象,

Abstract: The renormalization group theory is applied to calculating the critical behavior of water in which density fluctuation is taken into account.The Stockmayer potential is adopted to express the interactions between water molecules. The parameters regressed from critical temperature are used to predict the behavior of water at supercritical and near-critical temperatures. The calculated pressures are compared with the experiment data. The results show that the RG theory is suitable to predict the thermodynamic properties of water in critical region.

Key words:

重整化群理论, Stockmayer势能函数, 临界现象,