Simulation of methane permeability in carbon slit pores

Lim, Young-Il ; Bhatia, Suresh K. (2011) Simulation of methane permeability in carbon slit pores Journal of Membrane Science, 369 (1-2). pp. 319-328. ISSN 0376-7388

Full text not available from this repository.

Official URL:

Related URL:


Using a one-site spherical CH4 molecular model, we predict permeabilities in carbon slit pores of width 0.65-0.75 nm, based on adsorption isotherms obtained from grand canonical Monte Carlo (GCMC) simulation and diffusivities from equilibrium molecular dynamics (EMD). In the range of temperature of 298-318 K and pressure of 0.01-80 bar, the permeability within the slit pore is more strongly influenced by adsorption isotherms than by diffusion. It is found that the permeabilities predicted by the slit pore model far exceed those experimentally measured in practical membrane systems, consistent with our recent observations based on simulations of carbon dioxide permeability in slit pores. These results suggest that the pore entrance resistance (or pore mouth barrier), not considered in simulations of transport in semi-infinite slit pores, may be a dominating factor in nano-porous membrane transport.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:Methane (CH4); Permeability; Carbon Slit Pore; Molecular Simulation; Pore Mouth Resistance
ID Code:80700
Deposited On:01 Feb 2012 12:06
Last Modified:01 Feb 2012 12:06

Repository Staff Only: item control page