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- W2090907389 abstract "Extensive nonequilibrium molecular dynamics (NEMD) simulations have been carried out in order to estimate the Newtonian shear viscosity of a fluid composed of short chains (up to 16 segments) of jointed spheres [Lennard-Jones chain (LJC)] over a large range of thermodynamic conditions. Using the NEMD results, it is shown that the zero-density contribution decreases with the chain length for a given temperature and is simply proportional to ${N}^{ensuremath{-}1∕2}$, where $N$ is the number of spheres composing the chain. In addition, it has been noticed that the residual shear viscosity is proportional to the chain length. Then, using these results, a relation is proposed to correlate the shear viscosity of the LJC fluid using the LJ fluid (the monomer) as a reference. It is shown that this correlation is able to provide an excellent estimation of the LJC fluid viscosity compared to NEMD results for $Nensuremath{leqslant}16$ over the domain $0ensuremath{leqslant}{ensuremath{rho}}^{*}ensuremath{leqslant}1.1$ and $0.7ensuremath{leqslant}{T}^{*}ensuremath{leqslant}6$. Finally, it is shown that the LJC model is unambiguously more efficient than a simple LJ approximation when applied to estimate the shear viscosity of $n$-butane, if only the sphere or segment diameter is used as an adjustable parameter in both models." @default.
- W2090907389 created "2016-06-24" @default.
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- W2090907389 date "2009-02-04" @default.
- W2090907389 modified "2023-09-30" @default.
- W2090907389 title "Shear viscosity of the Lennard-Jones chain fluid in its gaseous, supercritical, and liquid states" @default.
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- W2090907389 doi "https://doi.org/10.1103/physreve.79.021201" @default.
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