Simulation of hydrogen adsorption in carbon nanotube arrays

The hydrogen adsorption in carbon nanotubes arrays was studied through molecular dynamics simulation. The interactions are described by the Lennard-Jones potential. The relative mass content and density of hydrogen are obtained as functions of the pressure, temperature and the distance between the tubes in the array. The formation of a second adsorption layer at low temperatures is detected. The cluster geometry optimal for adsorption is found.