4.7 Article

Breakdown of excess entropy scaling for systems with thermodynamic anomalies

Journal

PHYSICAL REVIEW E
Volume 81, Issue 6, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.81.061201

Keywords

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Funding

  1. Russian Foundation for Basic Research [08-02-00781, 10-02-00700]
  2. Russian Federal Program [02.740.11.5160]

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This paper presents a simulation study of the applicability of the Rosenfeld entropy scaling to the systems which cannot be approximated by the effective hard spheres. Three systems are studied: the Herzian spheres, the Gauss core model, and a soft repulsive shoulder potential. These systems demonstrate diffusion anomalies at low temperatures: the diffusion coefficient increases with increasing density or pressure. It is shown that for the first two systems belonging to a class of bounded potentials, the Rosenfeld scaling formula is valid only in the infinite-temperature limit where there are no anomalies. For the soft repulsive shoulder potential, the scaling formula is valid already at sufficiently low temperatures, however, out of the anomaly range.

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