Statistical mechanical lattice models of endohedral and exohedral xenon adsorption in carbon nanotubes and comparison with Monte-Carlo simulations

Adsorption of xenon in carbon nanotubes has been investigated by Kuznetsova et al. [A. Kuznetsova, J.T. Yates Jr., J. Liu, R.E. Smalley, J. Chem. Phys. 112 (2000) 9590] and Simonyan et al. [V. Simonyan, J.K. Johnson, A Kuznetsova, J.T. Yates Jr., J. Chem. Phys. 114 (2001) 4180] where endohedral adsorption isotherms show a step-like structure. A matrix method is used for calculation of the statistical mechanics of a lattice model of xenon endohedral adsorption which reproduces the isotherm structure while exohedral adsorption is treated by mean-field theory.