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Study on the Diffusion Coefficient of Sodium Chloride at Infinite Dilution in Supercritical
Water

XIAO Ji; LU Jiufeng; CHEN Jian; LI Yigui   

  1. Department of Chemical Engineering, Tsinghua University, Beijing 100084, China
  • Received:1900-01-01 Revised:1900-01-01 Online:2003-04-28 Published:2003-04-28
  • Contact: XIAO Ji

超临界水中NaCl无限稀释扩散系数的研究

肖吉; 陆九芳; 陈健; 李以圭   

  1. Department of Chemical Engineering, Tsinghua University, Beijing 100084, China
  • 通讯作者: 肖吉

Abstract: The molecular dynamics (MD) was employed to simulate the diffusion coefficient of sodium
chloride at infinite dilution in supercritical water from 703.2 K to 763.2 K and from 30
MPa to 45 MPa. Based on the simulated data and the Patel-Teja(PT) equation of state and the
Liu-Ruckenstein equation, an equation for calculating the diffusion coefficient of NaCl at
infinite dilution in supercritical water is proposed. Both the agreement between the
simulated and correlated data, and that between the simulated and predicted data of
diffusion coefficients for NaCl in supercritical water ranging from 703.2 K to 803.2 K and
from 25 MPa to 50 MPa show that this equation is applicable for the calculation of
diffusion coefficients.

Key words: diffusion coefficient, sodium chloride, supercritical water

摘要: The molecular dynamics (MD) was employed to simulate the diffusion coefficient of sodium
chloride at infinite dilution in supercritical water from 703.2 K to 763.2 K and from 30
MPa to 45 MPa. Based on the simulated data and the Patel-Teja(PT) equation of state and the
Liu-Ruckenstein equation, an equation for calculating the diffusion coefficient of NaCl at
infinite dilution in supercritical water is proposed. Both the agreement between the
simulated and correlated data, and that between the simulated and predicted data of
diffusion coefficients for NaCl in supercritical water ranging from 703.2 K to 803.2 K and
from 25 MPa to 50 MPa show that this equation is applicable for the calculation of
diffusion coefficients.

关键词: diffusion coefficient;sodium chloride;supercritical water