中国化学工程学报(英文版)
中國化學工程學報(英文版)
중국화학공정학보(영문판)
CHINESE JOURNAL OF CHEMICAL ENGINEERING
2003年
2期
208-212
,共5页
肖吉%陆九芳%陈健%李以圭
肖吉%陸九芳%陳健%李以圭
초길%륙구방%진건%리이규
diffusion coefficient%sodium chloride%supercritical water
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.
