A theoretical model for the scattering of I2 molecule from a perfluoropolyeter liquid surface

Abstract

In order to simulate experimental results of scattering of an I2 beam from liquid perfluorpolyeter ( PFPE ) surface we developed a model potential for the gas-polymer interaction at the liquid surface and solved the dynamics of the collision process by the classical trajectory method. The energy transferred in the process to the vibrational mode of the I2 molecule and to the liquid surface was investigated as a function of potential parameters.

Keywords

• gas-surface interaction
• liquid polymer
• perfluorpolyether and chemical dynamics