Elementary vibrational model for thermal conductivity of Lennard-Jones fluids: Applicability domain and accuracy level

Abstract

Exact mechanisms of thermal conductivity in liquids are not well understood, despite rich research history. A vibrational model of energy transfer in dense simple liquids with soft pairwise interactions seems adequate to partially fill this gap. The purpose of the present paper is to define its applicability domain and to demonstrate how well it works within the identified applicability domain in the important case of the Lennard-Jones model system. The existing results from molecular dynamics simulations are used for this purpose. Additionally, we show that a freezing density scaling approach represents a very powerful tool to estimate the thermal conductivity coefficient across essentially the entire gas-liquid region of the phase diagram, including metastable regions. A simple practical expression serving this purpose is proposed.

9 pages, 5 figures

References in corpus (19)

• Emergence and evolution of $k$-gap in spectra of liquid and supercritical states
• Universal law for the vibrational density of states of liquids
• Excess entropy determines the applicability of Stokes-Einstein relation in simple fluids
• A Ubiquitous Thermal Conductivity Formula for Liquids, Polymer Glass, and Amorphous Solids
• Onset of transverse (shear) waves in strongly-coupled Yukawa fluids
• Experimental Confirmation of the Universal Law for the Vibrational Density of States of Liquids
• Elementary vibrational model for transport properties of dense fluids
• Transport properties of Lennard-Jones fluids: Freezing density scaling along isotherms
• Minima of shear viscosity and thermal conductivity coefficients of classical fluids
• Vibrational model of thermal conduction for fluids with soft interactions
• Thermal conductivity of strongly coupled Yukawa fluids
• Note: Gas-liquid crossover in the Lennard-Jones system
• Sound velocities of Lennard-Jones systems near the liquid-solid phase transition
• Freezing density scaling of fluid transport properties: Application to liquefied noble gases
• Classical scattering in strongly attractive potentials
• Accurate transport cross sections for the Lennard-Jones potential
• Bridgman formula for the thermal conductivity of atomic and molecular liquids
• Vibrational model of heat transfer in strongly coupled Yukawa fluids (dusty plasma liquids)
• Thermal conduction in two-dimensional complex plasma layers

Cited by in corpus (7)

• Excess entropy of strongly coupled Yukawa fluids
• Freezing density scaling of transport coefficients in the Weeks-Chandler-Andersen fluid
• Generalized Rosenfeld-Tarazona scaling and high-density specific heat of simple liquids
• Quasi-universal behaviour of shear relaxation times in simple fluids
• Vibrational model of entropy in dense two-dimensional fluids
• Variational approach to Yukawa fluids. II. Instantaneous elastic moduli and sound velocities
• Excess entropy scaling of the transverse sound speed in simple fluids