Kern and Frenkel patchy model

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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