Square shoulder model: Difference between revisions
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The '''square shoulder model''' is given by | |||
The ''' | |||
:<math> | :<math> | ||
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where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the height of the shoulder, <math>r</math> is the distance between site 1 and site 2 <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>, σ is the hard diameter | where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the height of the shoulder, <math>r</math> is the distance between site 1 and site 2 <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>, σ is the hard diameter | ||
and λ > 1. | and λ > 1. | ||
==Direct correlation function== | |||
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== | ||
:''Main article: [[Equations of state for the square shoulder model]] | :''Main article: [[Equations of state for the square shoulder model]] | ||
==References== | ==References== | ||
<references/> | |||
'''Related reading''' | |||
*[http://dx.doi.org/10.1063/1.433373 J. M. Kincaid, G. Stell and E. Goldmark "Isostructural phase transitions due to core collapse. II. A three-dimensional model with a solid–solid critical point", Journal of Chemical Physics '''65''' pp. 2172-2179 (1976)] | |||
*[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)] | |||
*[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)] | |||
*[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)] | |||
[[Category: Models]] | [[Category: Models]] | ||
Revision as of 13:52, 17 February 2010
The square shoulder model is given by
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 [1]
Equation of State
- Main article: Equations of state for the square shoulder model
References
Related reading
- J. M. Kincaid, G. Stell and E. Goldmark "Isostructural phase transitions due to core collapse. II. A three-dimensional model with a solid–solid critical point", Journal of Chemical Physics 65 pp. 2172-2179 (1976)
- A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter 9 pp. L1-L5 (1997)
- Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter 9 pp. 381-387 (1997)
- Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics 129 174107 (2008)