Literature DB >> 30646717

Revisiting the Stokes-Einstein relation without a hydrodynamic diameter.

Lorenzo Costigliola1, David M Heyes2, Thomas B Schrøder1, Jeppe C Dyre1.   

Abstract

We present diffusion coefficient and shear viscosity data for the Lennard-Jones fluid along nine isochores above the critical density, each involving a temperature variation of roughly two orders of magnitude. The data are analyzed with respect to the Stokes-Einstein (SE) relation, which breaks down gradually at high temperatures. This is rationalized in terms of the fact that the reduced diffusion coefficient D ̃ and the reduced viscosity η ̃ are both constant along the system's lines of constant excess entropy (the isomorphs). As a consequence, D ̃ η ̃ is a function of T/T Ref(ρ) in which T is the temperature, ρ is the density, and T Ref(ρ) is the temperature as a function of the density along a reference isomorph. This allows one to successfully predict the viscosity from the diffusion coefficient in the studied region of the thermodynamic phase diagram.

Entities:  

Year:  2019        PMID: 30646717     DOI: 10.1063/1.5080662

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  9 in total

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

Authors:  Ian H Bell; Guillaume Galliero; Stéphanie Delage-Santacreu; Lorenzo Costigliola
Journal:  J Chem Phys       Date:  2020-05-21       Impact factor: 3.488

2.  Single molecule demonstration of Debye-Stokes-Einstein breakdown in polystyrene near the glass transition temperature.

Authors:  Nicole L Mandel; Soohyun Lee; Kimyung Kim; Keewook Paeng; Laura J Kaufman
Journal:  Nat Commun       Date:  2022-06-23       Impact factor: 17.694

3.  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

4.  Sound Velocities of Lennard-Jones Systems Near the Liquid-Solid Phase Transition.

Authors:  Sergey A Khrapak
Journal:  Molecules       Date:  2020-07-31       Impact factor: 4.411

5.  Diffusion in dense supercritical methane from quasi-elastic neutron scattering measurements.

Authors:  Umbertoluca Ranieri; Stefan Klotz; Richard Gaal; Michael Marek Koza; Livia E Bove
Journal:  Nat Commun       Date:  2021-03-30       Impact factor: 14.919

Review 6.  Improved SARS-CoV-2 Mpro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies.

Authors:  Wayne Vuong; Conrad Fischer; Muhammad Bashir Khan; Marco J van Belkum; Tess Lamer; Kurtis D Willoughby; Jimmy Lu; Elena Arutyunova; Michael A Joyce; Holly A Saffran; Justin A Shields; Howard S Young; James A Nieman; D Lorne Tyrrell; M Joanne Lemieux; John C Vederas
Journal:  Eur J Med Chem       Date:  2021-05-30       Impact factor: 7.088

7.  Isomorph Invariance of Higher-Order Structural Measures in Four Lennard-Jones Systems.

Authors:  Mahajabin Rahman; Benjamin M G D Carter; Shibu Saw; Ian M Douglass; Lorenzo Costigliola; Trond S Ingebrigtsen; Thomas B Schrøder; Ulf R Pedersen; Jeppe C Dyre
Journal:  Molecules       Date:  2021-03-20       Impact factor: 4.411

8.  Self-Diffusion in Simple Liquids as a Random Walk Process.

Authors:  Sergey A Khrapak
Journal:  Molecules       Date:  2021-12-11       Impact factor: 4.411

9.  Dissipation Mechanisms for Fluids and Objects in Relative Motion Described by the Navier-Stokes Equation.

Authors:  Dag Chun Standnes
Journal:  ACS Omega       Date:  2021-07-12
  9 in total

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