Year: 2020
Type: article
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) a parameter-free predictor for lubrication simulations.
Source: Physical Review Letters
Authors: Kerstin Falk, Daniele Savio, Michael Moseler
Language: English
Subfield: Mechanical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W3012016442