MOLECULAR DYNAMICS SIMULATION OF VERTICALLY ALIGNED CARBON NANOTUBE MEMBRANES FOR SEPARATION OF METHANE-NITROGEN GAS MIXTURE
Paper ID : 1133-MST2015-FULL
Authors:
1Aziz Azimi, 2alimorad rashidi
1Scientific Member of Shahid Chamran University
2Research Institute of Petroleum Industry
Abstract:
Separation of methane-nitrogen gas mixture by a membrane containing vertically aligned carbon nanotubes, has been simulated using non-equilibrium molecular dynamics. Two multi-wall Carbon nanotubes with the internal diameters of 8 and 24 nanometers have been selected as the membranes to study the effect of internal diameter on the separation performance. The separation process has been simulated in three different pressure differences and three mole fractions to observe the effect of these parameters on the separation performance. The results have shown that by increasing of pressure difference, methane permeability reduces, but nitrogen permeability remains nearly constant. Methane selectivity has been also reduced compared to that of nitrogen. Due to smaller length of the simulated nanotubes compared to the experimental ones and the porosity increment, the permeability of both gases in the simulated membrane has shown a significant increment.
Keywords:
Separation, Nanotechnology, Carbon nanotube, Methane-nitrogen gas mixture, Molecular dynamics.
Status : Conditional Accept (Poster)