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Molecular Dynamics Calculation of the Viscosity of Xenon Gas
Authors:Raymond D. Mountain
Affiliation:(1) Physical and Chemical Properties Division, Chemical Science and Technology Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland, 20899-8380, U.S.A
Abstract: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 0.37 to 7.62 mol · dm−3, and varied in temperature from 240 −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.
Keywords:Green-Kubo  molecular dynamics  viscosity  xenon
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