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Journal Articles Journal of Chemical Physics Year : 2014

Thermal conductivity of simple liquids: Origin of temperature and packing fraction dependences

Abstract

The origin of both weak temperature dependence and packing fraction dependence of T 1/4η3/2 in the thermal conductivity of the simple Lennard-Jones (LJ) liquid is explored. In order to discuss the relative contributions from attractive or repulsive part of the interaction potential separately, the thermal conductivity of a series of Weeks-Chandler-Anderson (WCA) fluids is calculated by molecular dynamics simulations. The results show that the repulsive part plays the main role in the heat conduction, while the attractive part has no direct effect on the thermal conductivity for a given packing fraction. By investigating WCA fluids with potentials of varying softness, we explain the difference observed between the LJ liquids such as argon and Coulombic liquids such as NaCl.
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Dates and versions

hal-00968020 , version 1 (31-03-2014)

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Yoshiki Ishii, Keisuke Sato, Mathieu Salanne, Paul A Madden, Norikazu Ohtori. Thermal conductivity of simple liquids: Origin of temperature and packing fraction dependences. Journal of Chemical Physics, 2014, 140, pp.114502. ⟨10.1063/1.4868438⟩. ⟨hal-00968020⟩
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