Separation of CO2–N2 mixtures in 3D carbon-based porous nanotube networks: a molecular dynamics investigation

Abstract

The separation of an equimolar CO₂–N₂ mixture in a 3D porous carbon nanotube network has been investigated. An enhanced CO₂ adsorption selectivity has been observed. The diffusion coefficients of the adsorbed molecules have been related to their residence dynamics in the vicinity of the carbon atoms of the nanopore.