9-3 Lennard-Jones potential
The 9-3 Lennard-Jones potential is related to the Lennard-Jones potential. It has the following form:
where is the intermolecular pair potential and . The minimum value of is obtained at , with
It is commonly used to model the interaction between the particles of a fluid with a flat structureless solid wall or vice versa (Ref. 1).
Interaction between a solid and a fluid molecule
Let us consider the space divided in two regions:
- : this region is occupied by a diffuse solid with density composed of 12-6 Lennard-Jones atoms
with parameters and
Our aim is to compute the total interaction between this solid and a molecule located at a position . Such an interaction can be computed using cylindrical coordinates.
The interaction will be: