Abstract
Novel gas adsorption properties by room-temperature ionic liquids (ILs) confined in carbon nanotube (CNT) bundles were ascertained using grand canonical ensemble Monte Carlo (GCMC) simulations in which the adsorption and separation of CO2 from CO2/N2 mixtures. The introduction of ILs into the CNT channels significantly enhances the adsorption of CO2, while it is not sensitive to N2 adsorption. This is due to the strong interaction between specific ILs in the CNTs and CO2 molecules. The presence of water showed a significant impact on the adsorption capacity of CO2 as well.
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