Description peculiarities of viscous and elastic properties of dense molecular liquids on the basis of the model of Lennard-Jones (n-6) fluid

摘要

Results previously obtained in molecular dynamics experiment with Lennard-Jones (n-6) (L-J (n-6)) fluid were applied for the determination of viscous and elastic properties of real molecular fluids (shear viscosity coefficient and pressure). Parameters sigma and epsilon of real liquids (liquid hydrocarbons) were determined by fitting p-rho-T data of model fluids to experimental p-rho-T data of real liquids. Using the data obtained in that way, parameters sigma and epsilon viscous and elastic characteristics of real liquids were determined. The comparison of experimental and calculated viscous and elastic characteristics revealed lesser dependence of viscous properties from n in comparison with elastic properties. (c) 2004 Elsevier B.V. All rights reserved.