Abstract
Viscosities η and diffusion coefficients D_{s} of linear and branched alkanes at pressure 0<P<0.7 GPa and temperature T=500-600 K are calculated from molecular dynamics simulations. Combining Stokes-Einstein, free volume, and random walk concepts results in an accurate viscosity model for the considered P and T. All model parameters (hydrodynamic radius, random walk step size, and step frequency) are extracted from equilibrium molecular dynamics via microscopic ensemble averages rendering η(P,T) aparameter-free predictor for lubrication simulations.
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