Argon and Neon Storages in Single-Walled Boron Nitride Nanotubes: A Grand Canonical Monte-Carlo Study

摘要

We apply grand canonical Monte-Carlo simulations to predict Argon and Neon adsorption inside single-walled boron nitride nanotubes with diameter of less than 2 nm at room temperature and varying pressure. The adsorption isotherms plotted to find Argon and Neon adsorptivities behaviour and the energy adsorptions have been calculated. Observations indicate Argon can be adsorbed more stable than Neon in boron nitride nanotubes. Although Neon cannot store as well as Argon, Neon storage inside boron nitride nanotube is more than its storage inside carbon nanotubes. Our results compare with Argon and Neon adsorptivities inside carbon nanotubes and their arrays and show boron nitride nanotubes are more capable for these gases adsorption than carbon nanotubes. Also, the calculated adsorptivities fitted to the Langmuir equation and obtained Langmuir fitted lines are in agreement with results of the simulation. This means there is most likely mono-layer adsorptivity of these gases inside the nanotubes.