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 | [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)] | ||
</ref> | </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 11:39, 21 May 2009
The ramp model, proposed by Jagla [1] and sometimes known as the Jagla model, is described by:
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \Phi _{12}(r)=\left\{{\begin{array}{ll}\infty &{\rm {if}}\;r<\sigma \\W_{r}-(W_{r}-W_{a}){\frac {r-\sigma }{d_{a}-\sigma }}&{\rm {if}}\;\sigma \leq r\leq d_{a}\\W_{a}-W_{a}{\frac {r-d_{a}}{d_{c}-d_{a}}}&{\rm {if}}\;d_{a}<r\leq d_{c}\\0&{\rm {if}}\;r>d_{c}\end{array}}\right.}
where is the intermolecular pair potential, , Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle W_{r}>0} and Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle W_{a}<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 Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle W_{r}^{*}=3.5;W_{a}^{*}=-1.0,d_{a}^{*}=1.72,d_{c}^{*}=3.0} , the liquid-vapour critical point is located at [2]:
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle T_{c}^{*}=1.487\pm 0.003}
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \rho _{c}\sigma ^{3}=0.103\pm 0.001}
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle p_{c}^{*}\simeq 0.042}
and the liquid-liquid critical point:
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle T_{c}^{*}\simeq 0.378\pm 0.003}
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \rho _{c}\sigma ^{3}\simeq 0.380\pm 0.002}
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle p_{c}^{*}/T_{c}^{*}\simeq 0.49\pm 0.01}
Repulsive Ramp Model
In the repulsive ramp case, where , 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:
where ; Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle [ij]} refers to all the pairs of sites that are second neighbors, and indicates the occupation of site (0 indicates an empty site, 1 indicates an occupied site).
See also
References
- ↑ E. A. Jagla "Core-softened potentials and the anomalous properties of water", Journal of Chemical Physics' 111 pp. 8980-8986 (1999)
- ↑ 2.0 2.1
E. Lomba, N. G. Almarza, C. Martin, C. McBride "Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies", Journal of Chemical Physics 126 244510 (2007)
Cite error: Invalid
<ref>tag; name "lomba" defined multiple times with different content - ↑ 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)
Related literature
- Limei Xu, Sergey V. Buldyrev, C. Austen Angell, and H. Eugene Stanley "Thermodynamics and dynamics of the two-scale spherically symmetric Jagla ramp model of anomalous liquids", Physical Review E 74 031108 (2006)
- Limei Xu, Sergey V. Buldyrev, Nicolas Giovambattista, C. Austen Angell, and H. Eugene Stanley "A monatomic system with a liquid-liquid critical point and two distinct glassy states", Journal of Chemical Physics 130 054505 (2009)