Waterlike dynamic anomalies in a liquid described by a core-softened potential

We present a theoretical study of transport properties of a liquid comprised of particles interacting via isotropic core-softened potential. Shear viscosity and self-diffusion coefficient are computed on the basis of the mode-coupling theory, with required structural input obtained from thermodynami...

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Bibliographic Details
Published in:The Journal of chemical physics 2008-05, Vol.128 (17), p.174503-174503-6
Main Author: Egorov, S. A.
Format: Article
Language:English
Subjects:
Models, Chemical
Thermodynamics
Water - chemistry
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Summary:We present a theoretical study of transport properties of a liquid comprised of particles interacting via isotropic core-softened potential. Shear viscosity and self-diffusion coefficient are computed on the basis of the mode-coupling theory, with required structural input obtained from thermodynamically self-consistent integral equation theory. Both self-diffusion coefficient and viscosity display waterlike anomalous density dependence, with diffusivity increasing and viscosity decreasing with density within a particular density range along several isotherms below a certain temperature. Our theoretical results for both transport coefficients are in good agreement with the simulation data.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2917359