Molecular Dynamics Calculations of the Viscosity of Xenon Gas
Raymond D. Mountain
The density variation of the viscosity of xenon gas is determined using molecular dynamics simulation with a semi-empirical pair potential fit to low density gas properties. The gas states ranged in density from 48.4 kg m-3 to 999 kg m-3 and varied in temperature from 240 K to 591 K. The simulation results match the kinetic theory predictions for the model potential at the lowest density and systematically lie below the experimental values for higher densities. This indicates the need for many-body interactions to accurately predict the viscosity of xenon gas at even moderate densities. An operational criterion for identifying the density region where kinetic theory is appropriate is proposed.
International Journal of Thermophysics
Green-Kubo, many-body interaction, molecular dynamics simulation, time correlation, viscosity, xenon gas