Dynamics of adsorption: Model calculations for several interaction potentials

Abstract

A model potential to describe the interaction of a diatomic molecule with a rigid solid surface has been derived previously. Using this interaction potential, classical trajectory calculations have been carried out to study the dynamics of adsorption on a solid surface. Several forms of the interaction potential were employed so as to observe the effect of different types of potential surfaces on adsorption dynamics, and both H2 and HD were used in these model calculations in order to study the isotope effects on adsorption. Sticking probabilities for the different cases are reported and the validity of the rigid surface model is discussed.