Simulations of the Thermal Conductivity in the Vicinity of the Critical Point
D J. Searles, D J. Evans, Howard J. Hanley, S Murad
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.