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

• Published in: Chinese journal of chemical engineering Vol. 16; no. 5; pp. 709 - 714
• Main Author: 吴志强 刘志平 汪文川 范益群 徐南平
• Format: Journal Article
• Language: English
• Published: 01-10-2008
• Subjects: CH4; 化工过程
• ISSN: 1004-9541; 2210-321X
• DOI: 10.1016/S1004-9541(08)60144-5

Diffusion of pure H2, CO, N2,O2 and CH4 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 m^2·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.