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 13:11, 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)


Φij(rij;Ω~i,Ω~j)=ΦijHSSW(rij)⋅f(Ω~i,Ω~j)


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

ΦijHSSW(rij)={∞;r<σ−ϵ;σ≤r<λσ0;r≥λσ

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

fij(r^ij;Ω~i,Ω~j)={1if{(e^α⋅r^ij≤cosδ)forsomepatchαoniand(e^β⋅r^ji≤cosδ)forsomepatchβonj0otherwise

References