Revisiting the Stokes-Einstein relation without a hydrodynamic diameter

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

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 faet that the reduced diffusion coefficient 5 and the reduced viscosity ij are both constant along the system's lines of constant excess entropy (the isomorphs). As a consequence, Dij is a function of T /T Ref(p) in which Tis the temperature, pis the density, and T Ref(p) 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.
OriginalsprogEngelsk
Artikelnummer021101
TidsskriftJournal of Chemical Physics
Vol/bind150
Udgave nummer2
ISSN0021-9606
DOI
StatusUdgivet - 10 jan. 2019

Citer dette

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title = "Revisiting the Stokes-Einstein relation without a hydrodynamic diameter",
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 faet that the reduced diffusion coefficient 5 and the reduced viscosity ij are both constant along the system's lines of constant excess entropy (the isomorphs). As a consequence, Dij is a function of T /T Ref(p) in which Tis the temperature, pis the density, and T Ref(p) 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.",
author = "Lorenzo Costigliola and David Heyes and Thomas Schr{\o}der and Jeppe Dyre",
year = "2019",
month = "1",
day = "10",
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Revisiting the Stokes-Einstein relation without a hydrodynamic diameter. / Costigliola, Lorenzo; Heyes, David; Schrøder, Thomas; Dyre, Jeppe.

I: Journal of Chemical Physics, Bind 150, Nr. 2, 021101, 10.01.2019.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Revisiting the Stokes-Einstein relation without a hydrodynamic diameter

AU - Costigliola, Lorenzo

AU - Heyes, David

AU - Schrøder, Thomas

AU - Dyre, Jeppe

PY - 2019/1/10

Y1 - 2019/1/10

N2 - 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 faet that the reduced diffusion coefficient 5 and the reduced viscosity ij are both constant along the system's lines of constant excess entropy (the isomorphs). As a consequence, Dij is a function of T /T Ref(p) in which Tis the temperature, pis the density, and T Ref(p) 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.

AB - 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 faet that the reduced diffusion coefficient 5 and the reduced viscosity ij are both constant along the system's lines of constant excess entropy (the isomorphs). As a consequence, Dij is a function of T /T Ref(p) in which Tis the temperature, pis the density, and T Ref(p) 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.

UR - http://glass.ruc.dk/pdf/articles/2019_JChemPhys_150_021101.pdf

U2 - 10.1063/1.5080662

DO - 10.1063/1.5080662

M3 - Journal article

VL - 150

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 2

M1 - 021101

ER -