“…As carbon nanotubes show a cylindrical shape, research efforts have concentrated on the possibility of controlling alignment, diameters, and lengths , so that many theoretical and experimental studies on these topics have been reported. , Classical and path integral molecular simulations were used to study the physisorption of hydrogen, helium, neon, nitrogen, argon, and methane in cylindrical pores, SWCNTs, and bundles of SWCNT for a range of pressures, temperatures, tube radii, and bundle structures . There is currently a considerable interest in the functionalization of carbon nanotubes, one motivation being to increase their very low solubility in both aqueous and organic solvents .…”