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Behavior of a nonconformal mixture via computer simulation
Authors:H. J. M. Hanley  D. J. Evans
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
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.
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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