An entropy scaling demarcation of gas- and liquid-like fluid behaviors - Archive ouverte HAL
Article Dans Une Revue The Journal of Chemical Physics Année : 2020

An entropy scaling demarcation of gas- and liquid-like fluid behaviors

Résumé

In this work, we propose a generic and simple definition of a line separating gas-like and liquid-like fluid behaviors from the standpoint of shear viscosity. This definition is valid even for fluids such as the hard sphere and the inverse power law that exhibit a unique fluid phase. We argue that this line is defined by the location of the minimum of the macroscopically scaled viscosity when plotted as a function of the excess entropy, which differs from the popular Widom lines. For hard sphere, Lennard-Jones, and inverse-power-law fluids, such a line is located at an excess entropy approximately equal to −2/3 times Boltzmann’s constant and corresponds to points in the thermodynamic phase diagram for which the kinetic contribution to viscosity is approximately half of the total viscosity. For flexible Lennard-Jones chains, the excess entropy at the minimum is a linear function of the chain length. This definition opens a straightforward route to classify the dynamical behavior of fluids from a single thermodynamic quantity obtainable from high-accuracy thermodynamic models.
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Dates et versions

hal-02749763 , version 1 (09-06-2021)

Identifiants

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Ian Bell, Guillaume Galliero, Stephanie Delage Santacreu, Lorenzo Costigliola. An entropy scaling demarcation of gas- and liquid-like fluid behaviors. The Journal of Chemical Physics, 2020, 152 (19), pp.191102. ⟨10.1063/1.5143854⟩. ⟨hal-02749763⟩
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