Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid

doi:10.1016/j.cjche.2014.12.011

Chin.J.Chem.Eng. ›› 2015, Vol. 23 ›› Issue (6): 897-904.DOI: 10.1016/j.cjche.2014.12.011

• FLUID DYNAMICS AND TRANSPORT PHENOMENA • Previous Articles Next Articles

Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid

Guangze Han, Xiaoyan Wang

Department of Physics, South China University of Technology, Guangzhou 510641, China

Received:2014-07-11 Revised:2014-12-02 Online:2015-07-09 Published:2015-06-28
Contact: Guangze Han
Supported by:
Supported by Guangdong Science and Technology Project (2012B050600012).

Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid

Guangze Han, Xiaoyan Wang

Department of Physics, South China University of Technology, Guangzhou 510641, China

通讯作者: Guangze Han
基金资助:
Supported by Guangdong Science and Technology Project (2012B050600012).

Abstract

Abstract: Dynamical properties of liquid in nano-channels attractmuch interest because of their applications in engineering and biological systems. The transfer behavior of liquid confined within nanopores differs significantly from that in the bulk. Based on the simple quasicrystal model of liquid, analytical expressions of self-diffusion coefficient both in bulk and in slit nanopore are derived from the Stokes-Einstein equation and the modified Eyring's equation for viscosity. The local self-diffusion coefficient in different layers of liquid and the global self-diffusion coefficient in the slit nanopore are deduced fromthese expressions. The influences of confinement by porewalls, pore widths, liquid density, and temperature on the self-diffusion coefficient are investigated. The results indicate that the self-diffusion coefficient in nanopore increaseswith the porewidth and approaches the bulk value as the pore width is sufficiently large. Similar to that in bulk state, the self-diffusion coefficient in nanopore decreases with the increase of density and the decrease of temperature, but these dependences are weaker than that in bulk state and become evenweaker as the porewidth decreases. Thiswork provides a simplemethod to capture the physical behavior and to investigate the dynamic properties of liquid in nanopores.

Key words: Stokes&ndash, Einstein equation, Eyring's equation, Slit nanopore, Self-diffusion coefficient, Simple quasicrystal model of liquid

摘要： Dynamical properties of liquid in nano-channels attractmuch interest because of their applications in engineering and biological systems. The transfer behavior of liquid confined within nanopores differs significantly from that in the bulk. Based on the simple quasicrystal model of liquid, analytical expressions of self-diffusion coefficient both in bulk and in slit nanopore are derived from the Stokes–Einstein equation and the modified Eyring's equation for viscosity. The local self-diffusion coefficient in different layers of liquid and the global self-diffusion coefficient in the slit nanopore are deduced fromthese expressions. The influences of confinement by porewalls, pore widths, liquid density, and temperature on the self-diffusion coefficient are investigated. The results indicate that the self-diffusion coefficient in nanopore increaseswith the porewidth and approaches the bulk value as the pore width is sufficiently large. Similar to that in bulk state, the self-diffusion coefficient in nanopore decreases with the increase of density and the decrease of temperature, but these dependences are weaker than that in bulk state and become evenweaker as the porewidth decreases. Thiswork provides a simplemethod to capture the physical behavior and to investigate the dynamic properties of liquid in nanopores.

关键词: Stokes&ndash, Einstein equation, Eyring's equation, Slit nanopore, Self-diffusion coefficient, Simple quasicrystal model of liquid

Guangze Han, Xiaoyan Wang. Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid[J]. Chin.J.Chem.Eng., 2015, 23(6): 897-904.

Guangze Han, Xiaoyan Wang. Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid[J]. Chinese Journal of Chemical Engineering, 2015, 23(6): 897-904.

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Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid

Investigation on characteristics of liquid self-diffusion in slit nanopores using simple quasicrystal model of liquid

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