9-3 Lennard-Jones potential: Difference between revisions

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Let us consider the space divided in two regions:
Let us consider the space divided in two regions:


* <math> x < 0 </math>: this region is occupied by a ''diffuse'' solid with density <math> \rho_s </math> composed of Lennard-Jones atoms  
* <math> x < 0 </math>: this region is occupied by a ''diffuse'' solid with density <math> \rho_s </math> composed of 12-6 [[Lennard-Jones model|Lennard-Jones]] atoms  
with paremeters <math> \sigma_s </math> and <math> \epsilon_a </math>
with paremeters <math> \sigma_s </math> and <math> \epsilon_a </math>



Revision as of 12:55, 23 March 2007

[EN CONSTRUCCION]

Functional form

The 9-3 Lennard-Jones potential is related to the standard Lennard-Jones potential.

It takes the form:

The minimum value of is obtained at , with

  • ,

Applications

It is commonly used to model the interaction between the particles of a fluid with a flat structureless solid wall.

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 paremeters and

Our aim is to compute the total interaction between this solid and a molecule located at a position .


[TO BE CONTINUED]