Thermodynamic Scaling of the Shear Viscosity of Lennard-Jones Chains of Variable Rigidity

In this work, the thermodynamic scaling framework has been used to emphasize limitations of fully flexible coarse grained molecular models yield shear viscosity real liquids. particular, extensive dynamics simulations have confirmed that, while being reasonable describe short normal alkanes, Lennard-Jones and Mie chains force fields are inadequate capture density dependence medium long alkanes. addition, it is shown that such a weakness in terms can be readily quantified by using framework. As simple alternative these fields, demonstrated insertion variable intramolecular rigidity model exhibits promising results chain-like fluids from both points view.