Scattering of Ne from the liquid–vapor interface of glycerol: A molecular dynamics study

Publisher Website
Google Scholar
Abstract
A model potential for the scattering of Ne off liquid glycerol is developed. The model is based on a nine‐site description of glycerol which takes into account torsional flexibility and hydrogen bonding. This model is used to carry out molecular dynamics calculations of the scattering as a function of collision energy. The results for the sticking probability and energy transfer are in good agreement with experiments. The model predicts a wide angular distribution of the scattered atoms with a mild decrease in the energy transfer as a function of exit angle for a fixed incident angle. The model also provides insight into the importance of the corrugated nature of the surface and the types of liquid modes that play a major role in the energy transfer process.