Molecular Dynamics Calculation of the Viscosity of Xenon Gas |
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Authors: | Raymond D. Mountain |
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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 |
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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. |
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Keywords: | Green-Kubo molecular dynamics viscosity xenon |
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