Kern and Frenkel patchy model: Difference between revisions
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The '''Kern and Frenkel''' <ref>[http://dx.doi.org/10.1063/1.1569473 Norbert Kern and Daan Frenkel "Fluid–fluid coexistence in colloidal systems with short-ranged strongly directional attraction", Journal of Chemical Physics 118, 9882 (2003)]</ref> [[Patchy particles |patchy model]] is an amalgamation of the [[hard sphere model]] with | The '''Kern and Frenkel''' <ref>[http://dx.doi.org/10.1063/1.1569473 Norbert Kern and Daan Frenkel "Fluid–fluid coexistence in colloidal systems with short-ranged strongly directional attraction", Journal of Chemical Physics 118, 9882 (2003)]</ref> [[Patchy particles |patchy model]] is an amalgamation of the [[hard sphere model]] with | ||
attractive [[Square well model | square well]] patches: | attractive [[Square well model | square well]] patches (HSSW). The potential has an angular aspect, given by (Eq. 1) | ||
:<math>\Phi_{ij}({\mathbf r}_{ij}; \tilde{{\mathbf \Omega}}_i, \tilde{{\mathbf \Omega}}_j) =\Phi_{ij}^{ \mathrm{HSSW}}({\mathbf r}_{ij}) \cdot f(\tilde{{\mathbf \Omega}}_i, \tilde{{\mathbf \Omega}}_j) </math> | |||
where the radial component is given by the square well model (Eq. 2) | |||
:<math> | |||
\Phi_{ij}^{ \mathrm{HSSW}} \left({\mathbf r}_{ij} \right) = | |||
\left\{ \begin{array}{ccc} | |||
\infty & ; & r < \sigma \\ | |||
- \epsilon & ; &\sigma \le r < \lambda \sigma \\ | |||
0 & ; & r \ge \lambda \sigma \end{array} \right. | |||
</math> | |||
and the orientational component is given by (Eq. 3) | |||
:<math> | |||
f_{ij} \left(\hat{ {\mathbf r}}_{ij}; \tilde{{\mathbf \Omega}}_i, \tilde{{\mathbf \Omega}}_j \right) = | |||
\left\{ \begin{array}{clc} | |||
1 & \mathrm{if} & \left\{ \begin{array}{ccc} & (\hat{e}_\alpha\cdot\hat{r}_{ij} \leq \cos \delta) & \mathrm{for~some~patch~\alpha~on~}i \\ | |||
\mathrm{and} & (\hat{e}_\beta\cdot\hat{r}_{ji} \leq \cos \delta) & \mathrm{for~some~patch~\beta~on~}j \end{array} \right. \\ | |||
0 & \mathrm{otherwise} & \end{array} \right. | |||
</math> | |||
==References== | ==References== | ||
<references/> | <references/> | ||
[[category: models]] | [[category: models]] |
Revision as of 12:11, 10 May 2010
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)