Many thermodynamic and dynamic properties of water display unusual behavior at low enough temperatures. In a recent study, Yan et al [Phys. Rev. Lett. 95, 130604 (2005)] identified a spherically symmetric two-scale potential that displays many of the same anomalous properties as water. More specifically, for select parametrizations of the potential, one finds that the regions where isothermal compression anomalously (i) decreases the fluid’s structural order, (ii) increases its translational self-diffusivity, and (iii) increases its entropy form nested domes in the temperature-density plane. These property relationships are similar to those found for more realistic models of water. In this work, the authors provide evidence that suggests that the anomalous regions specified above can all be linked through knowledge of the excess entropy. Specifically, the authors show how entropy scaling relationships developed by Rosenfeld [Phys. Rev. A 15, 2545 (1977)] 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.
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28 December 2006
Research Article|
December 22 2006
Excess-entropy-based anomalies for a waterlike fluid
Jeffrey R. Errington;
Jeffrey R. Errington
a)
Department of Chemical and Biological Engineering,
University at Buffalo
, The State University of New York, Buffalo, New York 14260
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Thomas M. Truskett;
Thomas M. Truskett
b)
Department of Chemical Engineering,
The University of Texas at Austin
, Austin, Texas 78712 and Institute for Theoretical Chemistry, The University of Texas at Austin
, Austin, Texas 78712
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Jeetain Mittal
Jeetain Mittal
c)
Department of Chemical Engineering,
The University of Texas at Austin
, Austin, Texas 78712
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J. Chem. Phys. 125, 244502 (2006)
Article history
Received:
September 21 2006
Accepted:
November 21 2006
Connected Content
A correction has been published:
Erratum: “Excess-entropy-based anomalies for a waterlike fluid” [J. Chem. Phys. 125, 244502 (2006)]
Citation
Jeffrey R. Errington, Thomas M. Truskett, Jeetain Mittal; Excess-entropy-based anomalies for a waterlike fluid. J. Chem. Phys. 28 December 2006; 125 (24): 244502. https://doi.org/10.1063/1.2409932
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