Computer simulation of molecular collisions with a polymer surface

Molecular dynamics is used to study a nonreactive collisional process of a nitrogen molecule with a polyethylene (PE) crystal surface. The collisional dynamics are examined for various impact velocities. The results indicate that there is a high efficiency of collisional energy and momentum transfer (molecule to surface). The intramolecular dynamics of the PE crystal show that the propagation of energy absorbed from a collision down a PE chain occurs on a picosecond time scale and that the energy is rapidly redistributed.