Analysis of gas-surface scattering models based on computational molecular dynamics

The paper is devoted to the comparison of different scattering models for molecular hydrogen interacting with a graphite surface. Such problems occur in many applications related to gas–solid problems in high-altitude-vehicle thermodynamics and nanotechnologies. The scattering kernels by Maxwell, Epstein and Cercignani-Lampis are analyzed for different conditions. A new analytical scattering kernel based on the combination of Epstein and Cercignani-Lampis models is proposed for better agreement with the trajectory computational results.