Molecular Dynamics Simulation of Diffusion Coefficients of Oxygen, Nitrogen and Sodium Chloride in Supercritical Water
XIAO Ji, LU Jiu-Fang, CHEN Jian, LI Yi-Gui
Department of Chemical Engineering, Tsinghua University,
Beijing 100084
Molecular Dynamics Simulation of Diffusion Coefficients of Oxygen, Nitrogen and Sodium Chloride in Supercritical Water
XIAO Ji;LU Jiu-Fang;CHEN Jian;LI Yi-Gui
Department of Chemical Engineering, Tsinghua University,
Beijing 100084
关键词 ：
02.70.Ns ,
47.11.+j ,
89.40.+k
Abstract ： Molecular dynamics simulation has been performed to determine the infinite-dilution diffusion coefficients of oxygen and nitrogen, and the diffusion coefficients of NaCl in supercritical water from 703.2-763.2 K and 30-45 MPa. The results obtained show that the diffusion coefficients in supercritical water increase with temperature, while decrease with pressure. Nevertheless, the diffusion coefficients in supercritical water are much larger than those in normal water.
Key words ：
02.70.Ns
47.11.+j
89.40.+k
出版日期: 2001-07-01
引用本文:
XIAO Ji;LU Jiu-Fang;CHEN Jian;LI Yi-Gui. Molecular Dynamics Simulation of Diffusion Coefficients of Oxygen, Nitrogen and Sodium Chloride in Supercritical Water[J]. 中国物理快报, 2001, 18(7): 847-849.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2001/V18/I7/847
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2001, Vol. 18 
