Fomin potential: Difference between revisions

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:<math>
\Phi_{12}\left( r \right) = \left( \frac{d}{r} \right)^n + \lambda_0   \sum_{i=1}^{i=imax} \lambda_i \tanh ( k_i (r-\sigma_i )))
\Phi_{12}\left( r \right) = \left( \frac{d}{r} \right)^n + \lambda_0 \sum_{i=1}^{i=i_{max}} \lambda_i \tanh ( k_i (r-\sigma_i )))
</math>
</math>



Revision as of 12:27, 24 January 2014

The Fomin potential was firstly introduced as [1] (Eq. 2):

where is the intermolecular pair potential, is the distance between site 1 and site 2, and . is the diameter of the hard core, is the width of the repulsive shoulder, is the height of the shoulder. As such, this model can be viewed as a softened square shoulder model.

Later it was generalized to the form [2] :

By varying coefficients one can add repulsive shoulders or attractive wells to the potential.

References