A Monte Carlo trajectory study of angular distributions in inelastic scattering of NO from graphite surfaces

A Monte Carlo classical trajectory study of NO/graphite surface scattering was carried out. NO was modeled as a rigid rotor interacting with a smooth vibrating surface through two Lennard-Jones 12-6 potential terms. The study simulated the experiments performed on the same system, first published by Frenckel et al. (1982). Angular distributions were calculated and found to generally reproduce the measured scattering lobes best at a simulated surface mass of 18 amu. Two potential well depths were used and at the larger of these all measured lobes could be quite well reproduced.