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Article Dans Une Revue Physical Review E : Statistical, Nonlinear, and Soft Matter Physics Année : 2009

Thermal conductivity of the Lennard-Jones chain fluid model

Résumé

Nonequilibrium molecular dynamics simulations have been performed to estimate, analyze, and correlate the thermal conductivity of a fluid composed of short Lennard-Jones chains up to 16 segments over a large range of thermodynamic conditions. It is shown that the dilute gas contribution to the thermal conductivity decreases when the chain length increases for a given temperature. In dense states, simulation results indicate that the residual thermal conductivity of the monomer increases strongly with density, but is weakly dependent on the temperature. Compared to the monomer value, it has been noted that the residual thermal conductivity of the chain was slightly decreasing with its length. Using these results, an empirical relation, including a contribution due to the critical enhancement, is proposed to provide an accurate estimation of the thermal conductivity of the Lennard-Jones chain fluid model up to 16 segments over the domain 0.8T6 and 01. Additionally, it has been noted that all reduced thermal conductivity values of the Lennard-Jones chain fluid model merge on the same “universal” curve when plotted as a function of the excess entropy. Furthermore, it is shown that the reduced configurational thermal conductivity of the Lennard-Jones chain fluid model is approximately proportional to the reduced excess entropy for all fluid states and all chain lengths.
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Dates et versions

hal-00468394 , version 1 (30-03-2010)

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Guillaume Galliero, Christian Boned. Thermal conductivity of the Lennard-Jones chain fluid model. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2009, 80, pp.061202. ⟨10.1103/PhysRevE.80.061202⟩. ⟨hal-00468394⟩

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