Highly selective separation and adsorption-induced phase transition of SF6-N2 fluid mixtures in three-dimensional carbon nanotube networks

• The separation of an equimolar SF6-N2 fluid mixture has been studied.
• A three-dimension porous carbon nanotube network has been used for the separation.
• Classical molecular dynamics simulation techniques have been employed.
• A high selectivity for sulfur hexafluoride has been observed.
• A gas-liquid phase transition takes place, liquefying the adsorbed system.

The separation of an equimolar SF6-N2 fluid mixture in a three-dimension porous carbon nanotube network has been investigated by means of classical molecular dynamics simulations at ambient conditions. The calculations performed have shown that the SF6 molecules are preferentially adsorbed over the nitrogen ones, yielding a high selectivity for sulfur hexafluoride. The adsorbed mixture is much denser than the bulk supercritical fluid, exhibiting a liquid-like behavior, which is reflected on the static structural, transport and dynamic properties of the confined mixture.

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