Comparison of Ethene Diffusion Characteristics in H[Al]ZSM‐5 at 300 K and 400 K by Molecular Dynamics

The ethene diffusion characteristics in the framework of HAl]ZSM‐5 at 300 K and 400 K have been studied by molecular dynamics (MD) simulation. The data have been obtained for the molecular kinetic, potential and total energies, mean square displacement and self‐diffusion coefficient, interaction and beat of adsorption. The dependence of molecular diffusion on temperature has been explored.