Adsorption kinetics of diatomic molecules on carbon nanotube bundles

A Kinetic Monte Carlo algorithm is used to explore the kinetics of adsorption of diatomic adsorbates on one-dimensional chains of sites. In particular, we monitor the evolution of the orientational configuration of the adsorbate as equilibrium is being reached at different values of temperature and chemical potential. We also analyze the dependence of the orientational evolution of the phases on the interactions between the molecules and on the presence of adsorption sites with different energies.