Square shoulder model: Difference between revisions

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The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla,  E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>
The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla,  E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>
==Equation of State==
==Equation of State==
<ref>[http://dx.doi.org/10.1088/0953-8984/11/50/308  Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161  (1999)]</ref>
<ref>[http://dx.doi.org/10.1088/0953-8984/11/50/308  Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161  (1999)]</ref>.
==Binary mixture==
<ref>[http://dx.doi.org/10.1063/1.4795837  Gayatri Das, Nicoletta Gnan, Francesco Sciortino, and Emanuela Zaccarelli "Unveiling the complex glassy dynamics of square shoulder systems: Simulations and theory", Journal of Chemical Physics '''138''' 134501 (2013)]</ref>
==References==
==References==
<references/>
<references/>

Revision as of 15:36, 25 April 2013

The square shoulder model is given by [1]

where is the intermolecular pair potential, is the height of the shoulder, is the distance between site 1 and site 2 , σ is the hard diameter and λ > 1.

Direct correlation function

The direct correlation function [2]

Equation of State

[3].

Binary mixture

[4]

References

Related reading