Kern and Frenkel patchy model: Difference between revisions

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then the patch cannot be involved in more than one bond. Enforcing this condition makes it possible to compare the simulations results with [[Wertheim's first order thermodynamic perturbation theory (TPT1)| Wertheim theory]] <ref name="bianchi"/><ref name="rovigatti"/>
then the patch cannot be involved in more than one bond. Enforcing this condition makes it possible to compare the simulations results with [[Wertheim's first order thermodynamic perturbation theory (TPT1)| Wertheim theory]] <ref name="bianchi"/><ref name="rovigatti"/>


==Hard ellipsoid model==
The [[hard ellipsoid model]] has also been used as the 'nucleus' of the Kern and Frenkel patchy model <ref>[http://dx.doi.org/10.1063/1.4969074  T. N. Carpency, J. D. Gunton and J. M. Rickman "Phase behavior of patchy spheroidal fluids", Journal of Chemical Physics '''145''' 214904 (2016)]</ref>.
==References==
==References==
<references/>
<references/>

Revision as of 17:03, 12 December 2016

The Kern and Frenkel [1] patchy model is an amalgamation of the hard sphere model with attractive square well patches (HSSW). The potential has an angular aspect, given by (Eq. 1)



where the radial component is given by the square well model (Eq. 2)

and the orientational component is given by (Eq. 3)

where is the solid angle of a patch () whose axis is (see Fig. 1 of Ref. 1), forming a conical segment.

Two patches

The "two-patch" Kern and Frenkel model has been extensively studied by Sciortino and co-workers [2][3][4].

Four patches

Main article: Anisotropic particles with tetrahedral symmetry

Single-bond-per-patch-condition

If the two parameters and fullfil the condition

then the patch cannot be involved in more than one bond. Enforcing this condition makes it possible to compare the simulations results with Wertheim theory [2][4]

Hard ellipsoid model

The hard ellipsoid model has also been used as the 'nucleus' of the Kern and Frenkel patchy model [5].

References

Related reading