Behavior of a nonconformal mixture via computer simulation |
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Authors: | H. J. M. Hanley D. J. Evans |
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Affiliation: | (1) Thermophysical Properties Division, National Bureau of Standards, 80303 Boulder, Colorado, USA;(2) Department of Chemical Engineering, University of Colorado, 80309 Boulder, Colorado, USA;(3) Ion Diffusion Unit, Australian National University, Canberra, Australia |
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Abstract: | A binary 50% mixture of soft spheres is studied via nonequilibrium molecular dynamics, and the equilibrium and nonequilibrium radial distribution functions for a nonconformal mixture with a mass ratio of 10 and a size ratio of about 2 are examined. This model system is related to the real methane/decane mixture, and it is shown that apparently anomalous properties of this mixture, especially the viscosity, could perhaps be understood in terms of the local or ambient mole fraction. In addition, the postulates of the Van der Waals one fluid conformal solution theory are discussed, and a mixing rule for the mass is derived. |
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Keywords: | conformal solution theory local mole fraction nonequilibrium molecular dynamics radial distribution functions soft spheres Van der Waals one fluid theory |
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