Ramp model: Difference between revisions

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Ramp [[lattice gas|Lattice Gas]] model  
Ramp [[lattice gas|Lattice Gas]] model  
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[http://dx.doi.org/10.1080/00268970902729269  Johan Skule Hoye,  Enrique Lomba, and  Noe Garcia Almarza, "One- and three-dimensional lattice models with two repulsive ranges: simple systems with complex phase behaviour",  Molecular Physics 107, 321-330 (2009)]
[http://dx.doi.org/10.1080/00268970902729269  Johan Skule Hoye,  Enrique Lomba, and  Noe Garcia Almarza, "One- and three-dimensional lattice models with two repulsive ranges: simple systems with complex phase behaviour",  Molecular Physics '''107''', 321-330 (2009)]
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</ref>
The system is defined on a simple cubic lattice. The interaction is that of a [[lattice hard spheres|lattice
The system is defined on a simple cubic lattice. The interaction is that of a [[lattice hard spheres|lattice

Revision as of 12:39, 21 May 2009

The ramp model, proposed by Jagla [1] and sometimes known as the Jagla model, is described by:

Φ12(r)={∞r<σWr−(Wr−Wa)r−σda−σσ≤r≤daWa−War−dadc−dada<r≤dc0r>dc

where Φ12(r) is the intermolecular pair potential, r:=|r1−r2|, Wr>0 and Wa<0.

Graphically, one has:

where the red line represents an attractive implementation of the model, and the green line a repulsive implementation.

Critical points

For the particular case Wr*=3.5;Wa*=−1.0,da*=1.72,dc*=3.0, the liquid-vapour critical point is located at [2]:

Tc*=1.487±0.003
ρcσ3=0.103±0.001
pc*≃0.042

and the liquid-liquid critical point:

Tc*≃0.378±0.003
ρcσ3≃0.380±0.002
pc*/Tc*≃0.49±0.01

Repulsive Ramp Model

In the repulsive ramp case, where Wa=0, neither liquid-vapor nor liquid-liquid stable equilibria occur [2]. However, for this model a low density crystalline phase has been found. This solid phase presents re-entrant melting, i.e. this solid melts into the fluid phase as the pressure is increased.

Lattice gas version

Recently, similar behaviour has been found in a three-dimensional Repulsive Ramp Lattice Gas model [3] The system is defined on a simple cubic lattice. The interaction is that of a lattice hard sphere model with exclusion of nearest neighbours of occupied positions plus a repulsive interaction with next-to-nearest neighbours. The total potential energy of the system is then given by:

U=ϵ∑[ij]SiSj

where ϵ>0 ; [ij] refers to all the pairs of sites that are second neighbors, and Sk indicates the occupation of site k (0 indicates an empty site, 1 indicates an occupied site).

See also

References

Related literature