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Simulations of the Thermal Conductivity in the Vicinity of the Critical Point

Published

Author(s)

D J. Searles, D J. Evans, Howard J. Hanley, S Murad

Abstract

Isothermal-isobaric nonequilibrium molecular dynamics and Green-Kubo simulations are developed and used to calculate the thermal conductivity of an 864 particle Lennard-Jones fluid, with one simulation for 6912 particles, in the vicinity of the critical point. A small enhancement of the conductivity is observed. The isothermal compressibility is also evaluated. Agreement between the simulated data and the isothermal compressibility of argon is excellent.
Citation
Molecular Simulation
Volume
20
Issue
6

Keywords

computer simulation, critical point, molecular dynamics, nonequilibrium, thermal conductivity, thermal diffusivity

Citation

Searles, D. , Evans, D. , Hanley, H. and Murad, S. (1998), Simulations of the Thermal Conductivity in the Vicinity of the Critical Point, Molecular Simulation (Accessed February 23, 2024)
Created August 31, 1998, Updated October 12, 2021