English

Diffusion Anomaly in a three dimensional lattice gas

Soft Condensed Matter 2009-11-13 v1 Statistical Mechanics

Abstract

We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a three dimensional lattice gas with particles interacting through a soft core potential and orientational degrees of freedom. From the competition between the directional attractive forces and the soft core potential results two liquid phases, double criticality and density anomaly. We study the mobility of the molecules in this model by calculating the diffusion constant at a constant temperature, DD. We show that DD has a maximum at a density ρmax\rho_{max} and a minimum at a density ρmin<ρmax\rho_{min}<\rho_{max}. Between these densities the diffusivity differs from the one expected for normal liquids. We also show that in the pressure-temperature phase-diagram the line of extrema in diffusivity is close to the liquid-liquid critical point and it is partially inside the temperature of maximum density (TMD) line.

Keywords

Cite

@article{arxiv.0704.3762,
  title  = {Diffusion Anomaly in a three dimensional lattice gas},
  author = {Mauricio Girardi and Marcia Szortyka and Marcia C. Barbosa},
  journal= {arXiv preprint arXiv:0704.3762},
  year   = {2009}
}
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