The equilibrium constants for molecular hydrogen adsorption in carbon nanotubes based on iteratively determined nano-confined bound states

A model for H-2 inside single-walled carbon nanotubes is outlined. ARPACK (the Arnoldi package), a robust iterative matrix-vector eigenvalue software library, is used to determine the allowed quantum states of H-2 inside various carbon nanotubes. This information is used to construct the equilibrium constants for H-2 adsorption as a function of temperature for a variety of CNTs.