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Nonequilibrium molecular dynamics calculation of the shear viscosity of carbon dioxide

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Abstract

Nonequilibrium molecular dynamics calculations of the shear viscosity of supercritical carbon dioxide along the 313 K isotherm are reported. Three different intermolecular potential models of increasing complexity are considered: a spherically symmetric Lennard-Jones potential, a two-site Lennard-Jones potential, and a three-site potential which includes a quadrupole-quadrupole moment. Results for the three potentials are compared with experimental data.

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Authors and Affiliations

  1. Department of Chemical Engineering, University of Virginia, 22901, Charlottesville, Virginia, USA

    B. Y. Wang & P. T. Cummings

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  1. B. Y. Wang
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  2. P. T. Cummings
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Wang, B.Y., Cummings, P.T. Nonequilibrium molecular dynamics calculation of the shear viscosity of carbon dioxide. Int J Thermophys 10, 929–940 (1989). https://doi.org/10.1007/BF00503162

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  • DOI: https://doi.org/10.1007/BF00503162

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