Adsorption in single-walled carbon nanotubes by experiments and molecular simulation II: Effect of morphology and temperature on organic adsorption

Hexane adsorption on single-walled carbon nanotube (SWNT) bundles was studied. Hexane adsorption capacities of two purified SWNT samples was gravimetrically determined at isothermal conditions of 25??, 37??, and 50??C for 10-4 < p/po < 0.9, where p/po is hexane vapor pressure relative to its saturation pressure. Simulation of hexane adsorption under similar temperature and pressure conditions were performed on the external and internal sites of nanotube bundles of diameters same as those in experimental samples. The simulations could predict isotherms for a hypothetical scenario where all nanotubes in a sample would be open. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 10/30/2005-11/4/2005).