Methane Adsorption Over Highly Defective Multiwalled Carbon Nanotubes: Monte Carlo Simulations

Abstract

Methane adsorption isotherms and isosteric heat of adsorption on a number of modified double wall carbon nanotubes probe structures were obtained by Monte Carlo simulations. This analysis is used to mimic the influence of oxidation treatment on adsorption properties of such carbon structures. We found that microscopic heterogeneity can be in principle observed via macroscopic measurements such as, isosteric heat determinations, and the wetting behavior of methane on carbon nanotubes.