Literature DB >> 33687260

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

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


  35 in total

1.  Reversing the perturbation in nonequilibrium molecular dynamics: an easy way to calculate the shear viscosity of fluids.

Authors:  F Müller-Plathe
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1999-05

2.  Pressure-energy correlations in liquids. II. Analysis and consequences.

Authors:  Nicholas P Bailey; Ulf R Pedersen; Nicoletta Gnan; Thomas B Schrøder; Jeppe C Dyre
Journal:  J Chem Phys       Date:  2008-11-14       Impact factor: 3.488

3.  Shear viscosity of the Lennard-Jones chain fluid in its gaseous, supercritical, and liquid states.

Authors:  Guillaume Galliero; Christian Boned
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2009-02-04

4.  "Liquid-gas" transition in the supercritical region: fundamental changes in the particle dynamics.

Authors:  V V Brazhkin; Yu D Fomin; A G Lyapin; V N Ryzhov; E N Tsiok; Kostya Trachenko
Journal:  Phys Rev Lett       Date:  2013-10-04       Impact factor: 9.161

5.  Pressure-energy correlations in liquids. III. Statistical mechanics and thermodynamics of liquids with hidden scale invariance.

Authors:  Thomas B Schrøder; Nicholas P Bailey; Ulf R Pedersen; Nicoletta Gnan; Jeppe C Dyre
Journal:  J Chem Phys       Date:  2009-12-21       Impact factor: 3.488

6.  Perspective: Excess-entropy scaling.

Authors:  Jeppe C Dyre
Journal:  J Chem Phys       Date:  2018-12-07       Impact factor: 3.488

7.  Comprehensive representation of the Lennard-Jones equation of state based on molecular dynamics simulation data.

Authors:  S Pieprzyk; A C Brańka; Sz Maćkowiak; D M Heyes
Journal:  J Chem Phys       Date:  2018-03-21       Impact factor: 3.488

8.  Comment on "Behavior of Supercritical Fluids across the 'Frenkel Line'".

Authors:  V V Brazhkin; C Prescher; Yu D Fomin; E N Tsiok; A G Lyapin; V N Ryzhov; V B Prakapenka; J Stefanski; K Trachenko; A Sapelkin
Journal:  J Phys Chem B       Date:  2018-05-18       Impact factor: 2.991

9.  Perspective: Crossing the Widom line in no man's land: Experiments, simulations, and the location of the liquid-liquid critical point in supercooled water.

Authors:  Nicholas J Hestand; J L Skinner
Journal:  J Chem Phys       Date:  2018-10-14       Impact factor: 3.488

10.  Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid.

Authors:  Ian H Bell; Richard Messerly; Monika Thol; Lorenzo Costigliola; Jeppe C Dyre
Journal:  J Phys Chem B       Date:  2019-07-12       Impact factor: 3.466

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