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Molecular dynamics study of the phase separation and diffusion in Lennard-Jones binary liquid

Zhang Di Sun Hong-Ning Yao Xiu-Wei Li Cong Duan Yong-Ping Yan Yuan Mu Hong-Chen Sun Min-Hua Li Mei-Li Fu Xing-Ye

Molecular dynamics study of the phase separation and diffusion in Lennard-Jones binary liquid

Zhang Di, Sun Hong-Ning, Yao Xiu-Wei, Li Cong, Duan Yong-Ping, Yan Yuan, Mu Hong-Chen, Sun Min-Hua, Li Mei-Li, Fu Xing-Ye
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  • Received Date:  26 January 2008
  • Accepted Date:  28 April 2008
  • Published Online:  20 November 2008

Molecular dynamics study of the phase separation and diffusion in Lennard-Jones binary liquid

  • 1. (1)哈尔滨师范大学物理与电子工程学院,哈尔滨 150025; (2)哈尔滨师范大学物理与电子工程学院,哈尔滨 150025;绥化学院物理与电子信息系,绥化 152061; (3)绥化学院物理与电子信息系,绥化 152061

Abstract: Molecular dynamics (MD) simulation is performed to study the diffusion and phase separation process in binary Lennard-Jones (LJ) liquid. It is found that the growth of phase separation with temperature can be divided into two stages. The first is the fast-growth at high temperatures and the second is the steady-growth at low temperatures. Diffusion activation energy in the phase separation system is not a constant, but a function of temperature and follows the relation of E=a+bTc. The influence of the sizes of the components on the phase separation is also discussed. The results shows that the diffusivity increases when the component size decreases. This facilitates the phase separation.

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