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.