Diffusion of H2,CO,N2,O2 and CH4 Through Nanoporous Carbon Membranes

吴志强; 刘志平; 汪文川; 范益群; 徐南平

doi:10.1016/S1004-9541(08)60144-5

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Diffusion of H₂,CO,N₂,O₂ and CH₄ Through Nanoporous Carbon Membranes

Updated：2026-01-06

- Diffusion of H₂,CO,N₂,O₂ and CH₄ Through Nanoporous Carbon Membranes
- Diffusion of H₂,CO,N₂,O₂ and CH₄ Through Nanoporous Carbon Membranes
- 中国化学工程学报（英文版） 2008年16卷第5期页码：709-714
- Affiliations：
  
  1. Division of Molecule and Materials Simulation, Key Lab for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology,Beijing,China,100029
  2. Membrane Science and Technology Research Center, Nanjing University of Technology,Nanjing,210009
- Author bio：
- Funds：
  
  the State Key Development Program for Basic Research of China(2003CB615707);the National Natural Science Foundation of China(20736005).
- DOI：10.1016/S1004-9541(08)60144-5
  中图分类号：
- 纸质出版：2008
- Accepted：
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吴志强, 刘志平, 汪文川, 等. Diffusion of H₂,CO,N₂,O₂ and CH₄ Through Nanoporous Carbon Membranes[J]. 中国化学工程学报（英文版）, 2008,16(5):709-714. DOI: 10.1016/S1004-9541(08)60144-5.

,CO,N
吴志强, 刘志平, 汪文川, 等. Diffusion of H₂,CO,N₂,O₂ and CH₄ Through Nanoporous Carbon Membranes[J]. 中国化学工程学报（英文版）, 2008,16(5):709-714. DOI: 10.1016/S1004-9541(08)60144-5. DOI：

,CO,N DOI： 10.1016/S1004-9541(08)60144-5.

摘要

Abstract

Diffusion of pure H

and CH

gases through nanoporous carbon membrane is investigated by carrying out non-equilibrium molecular dynamics(NEMD)simulations.The flux

transport diffusivity and activation energy for the pure gases diffusing through carbon membranes with various pore widths were investigated. The simulation results reveal that transport diffusivity increases with temperature and pore width

and its values have a magnitude of 10

-7

·s

-1

for pore widths of about 0.80 to 1.21 nm at 273 to 300 K.The activation energies for the gases diffusion through the membrane with various pore widths are about 1-5 kJ·mol

-1

.The results of transport diffusivities are comparable with that of Rao and Sircar(J.Membr.Sci.

1996)

indicating the NEMD simulation method is a good tool for predicting the transport diffusivities for gases in porous materials

which is always difficult to be accurately measured by experiments.

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