Metastable Lennard-Jones fluids. I. Shear viscosity

Molecular dynamics methods have been employed to calculate the coefficient of shear viscosity η(s)* of a Lennard-Jones fluid. Calculations have been performed in the range of reduced temperatures 0.4 ≤ k(B)T/ε ≤ 2.0 and densities 0.01 ≤ ρσ(3) ≤ 1.2. Values of η(s)* have been obtained for 217 states,...

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Bibliographic Details
Published in:The Journal of chemical physics 2012-10, Vol.137 (16), p.164507-164507
Main Authors: Baidakov, Vladimir G, Protsenko, Sergey P, Kozlova, Zaliya R
Format: Article
Language:English
Subjects:
Coefficients
Density
Fluid dynamics
Fluid flow
Fluids
Liquids
Mathematical analysis
Shear viscosity
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Summary:Molecular dynamics methods have been employed to calculate the coefficient of shear viscosity η(s)* of a Lennard-Jones fluid. Calculations have been performed in the range of reduced temperatures 0.4 ≤ k(B)T/ε ≤ 2.0 and densities 0.01 ≤ ρσ(3) ≤ 1.2. Values of η(s)* have been obtained for 217 states, 99 of which refer to metastable liquid and gas regions. The results of calculating η(s)* for thermodynamically stable states are in satisfactory agreement with the data of earlier investigations. An equation has been obtained which describes the temperature and density dependence of the coefficient of shear viscosity in stable and metastable regions of the phase diagram up to the boundaries of spontaneous nucleation. The behavior of the coefficient of shear viscosity close to the spinodal of a superheated liquid and supersaturated vapor is discussed and the applicability of the Stokes-Einstein relation at high supercoolings of the liquid phase is examined.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4758806