9-3 Lennard-Jones potential: Difference between revisions

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: <math>
: <math>
  V_{W} \left( x \right) = 8 \pi  \epsilon_{sf} \rho_s \sigma^3  
  V_{W} \left( x \right) = \frac{4 \pi  \epsilon_{sf} \rho_s \sigma^3}{3}
\left[  \frac{ \sigma^{9}} { 90 x^{9} }
\left[  \frac{ \sigma^{9}} { 15  x^{9} }
- \frac{\sigma^3 }{ 12 x^3  } \right]
- \frac{\sigma^3 }{ 2 x^3  } \right]
</math>
</math>



Revision as of 14:48, 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 . Such an interaction can be computed using cylindrical coordinates ( I GUESS SO, at least).

The interaction will be:



[TO BE CONTINUED]