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Diffusion anomaly in an associating lattice gas model

2006/09/21 by Marcia M. Szortyka, Márcia C. Barbosa, Marcia C. Barbosa · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Theoretical and Computational Physics #cond-mat.soft #cond-mat.stat-mech

paper · pdf · doi:10.1016/j.physa.2007.02.069

12 pages, 9 figures

arxiv created 2006/09/21 · openalex publication_date 2007/03/04 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a two 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, D. We show that D has a maximum at a density ρmax and a minimum at a density ρminmax. 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 inside the temperature of maximum density (TMD) line.

Citations

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