| Literature DB >> 33687260 |
Ian H Bell1, Guillaume Galliero2, Stéphanie Delage-Santacreu3, Lorenzo Costigliola4.
Abstract
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.Entities:
Year: 2020 PMID: 33687260 PMCID: PMC7943929 DOI: 10.1063/1.5143854
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488