# Breakdown of excess entropy scaling for systems with thermodynamic anomalies.

@article{Fomin2010BreakdownOE, title={Breakdown of excess entropy scaling for systems with thermodynamic anomalies.}, author={Yu D Fomin and V. N. Ryzhov and Nadezhda Gribova}, journal={Physical review. E, Statistical, nonlinear, and soft matter physics}, year={2010}, volume={81 6 Pt 1}, pages={ 061201 } }

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…

## Figures and Topics from this paper

## 57 Citations

Excess-entropy scaling

- 2018

This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld that entropy determines properties of liquids like viscosity, diffusion constant, and heat conductivity. We…

Excess entropy determines the applicability of Stokes-Einstein relation in simple fluids

- Physics
- 2021

The Stokes-Einstein (SE) relation between the self-diffusion and shear viscosity coefficients operates in sufficiently dense liquids not too far from the liquid-solid phase transition. By considering…

Perspective: Excess-entropy scaling.

- Physics, MedicineThe Journal of chemical physics
- 2018

This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld that entropy determines properties of liquids like viscosity, diffusion constant, and heat conductivity. We…

Structural and dynamical anomalies of soft particles interacting through harmonic repulsions.

- Physics, MedicinePhysical chemistry chemical physics : PCCP
- 2015

Interestingly, the plots of DRversus two-body excess entropy S2 approximately collapse onto a single master curve despite the structural and dynamical anomalies, which has also been observed in other core-softened fluids with bounded potential.

Thermodynamic excess properties and their scaling behavior for the Gaussian core model fluid

- Physics
- 2012

Abstract The thermodynamic excess properties for the Gaussian core model (GCM) fluid are calculated from an equation of state for the pressure and the internal energy. The equation of state is…

Water-like anomalies in the core-softened systems: Dependence on the trajectory in density-temperatu

- Physics, Chemistry
- 2011

Abstract We show that the existence of the water-like anomalies in kinetic coefficients in the core-softened systems depends on the trajectory in ρ – T plane along which the kinetic coefficients are…

Inversion of sequence of anomalies in core-softened systems with attraction

- Physics
- 2013

In this paper we present a simulation study of water-like anomalies in a purely repulsive core-softened system and in a system with attraction described in our previous publications. We investigate…

Interplay between freezing and density anomaly in a confined core-softened fluid

- Materials Science
- 2020

We present a computer simulation study of the influence of the confinement on the density anomaly in the fluid with isotropic core-softened potential which is used for a qualitative description of…

Free energy and entropy of a dipolar liquid by computer simulations.

- Physics, MedicineThe Journal of chemical physics
- 2018

A model is proposed in order to analyze translation and rotation contributions to entropy separately, and a logarithmic correlation between excess entropy associated with translation and the corresponding proportion of imaginary frequency modes is encountered.

Excess entropy scaling for the segmental and global dynamics of polyethylene melts.

- Physics, MedicinePhysical chemistry chemical physics : PCCP
- 2014

In connection with diffusion coefficients and viscosities, the Rosenfeld scaling law appears to be of higher quality than the Dzugutov approach and is expected to be valid for polymers in the Rouse regime.

## References

SHOWING 1-10 OF 120 REFERENCES

A quasi-universal scaling law for atomic transport in simple fluids

- Chemistry
- 1999

A semi-empirical `universal' corresponding-states relationship, for the dimensionless transport coefficients of dense fluids as functions of the reduced configurational entropy, was proposed more…

Relation between the transport coefficients and the internal entropy of simple systems

- Physics
- 1977

The transport coefficients of hard-sphere, soft-sphere, Lennard-Jones, and one-component-plasma systems are expressed in terms of the corresponding internal entropies, to reveal some universal…

Excess-entropy-based anomalies for a waterlike fluid.

- Chemistry, MedicineThe Journal of chemical physics
- 2006

The authors show how entropy scaling relationships developed by Rosenfeld can be used to describe the region of diffusivity anomalies and to predict the state conditions for which anomalous viscosity and thermal conductivity behavior might be found.

CORE-SOFTENED POTENTIALS AND THE ANOMALOUS PROPERTIES OF WATER

- Chemistry, Physics
- 1999

We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger…

Waterlike thermodynamic anomalies in a repulsive-shoulder potential system.

- Materials Science, PhysicsPhysical review. E, Statistical, nonlinear, and soft matter physics
- 2009

A computer-simulation study of the equilibrium phase diagram of a three-dimensional system of particles with a repulsive-shoulder potential shows that at certain values of the potential parameters the system exhibits the waterlike thermodynamic anomalies: a density anomaly and a diffusion anomaly.

Waterlike hierarchy of anomalies in a continuous spherical shouldered potential.

- Mathematics, MedicineThe Journal of chemical physics
- 2008

A continuous isotropic core-softened potential with attractive well in three dimensions that displays liquid-liquid coexistence with a critical point and waterlike density anomaly is investigated, and anomalies, not observed in the discrete version of this model, occur with the same hierarchy that characterizes water.

Static and dynamic anomalies in the Gaussian core model liquid

- Chemistry
- 2006

Abstract We investigated static and dynamic liquid-state anomalies of a single-component system interacting via a Gaussian core potential. Anomalies are produced due to the fact that the potential is…

Diffusivity, excess entropy, and the potential-energy landscape of monatomic liquids.

- Chemistry, MedicineThe Journal of chemical physics
- 2006

The diffusivity is shown to depend linearly on several key properties of instantaneous and saddle configurations-the energy, the fraction of negative curvature directions, and the mean, maximum, and minimum eigenvalues of the Hessian.

Which mechanism underlies the water-like anomalies in core-softened potentials?

- Physics, Mathematics
- 2007

Using molecular dynamics simulations we investigate the thermodynamics of particles interacting with continuous and discrete versions of a core-softened (CS) intermolecular potential composed by a…

Anomalous phase behavior of a soft-repulsive potential with a strictly monotonic force.

- Physics, MedicinePhysical review. E, Statistical, nonlinear, and soft matter physics
- 2009

We study the phase behavior of a classical system of particles interacting through a strictly convex soft-repulsive potential which, at variance with the pairwise softened repulsions considered so…