Viscosity calculations of n-alkanes by equilibrium molecular dynamics

Mondello, Maurizio; Grest, Gary S.
June 1997
Journal of Chemical Physics;6/8/1997, Vol. 106 Issue 22, p9327
Academic Journal
Presents shear velocity results obtained using extensive equilibrium molecular dynamics simulations. Equivalence of the Green-Kubo and Einstein approach to the calculation of viscosity in both the atomic and molecular representations; Molecular factors determining the low-temperature liquid-state transport properties.


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