Shear viscosity of ionic liquids from non-equilibrium molecular dynamics simulation

Accurate computation of shear viscosity from equilibrium molecular dynamics simulations

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Shear viscosity of molten alkali halides from equilibrium and nonequilibrium molecular-dynamics simulations.

The shear viscosity of molten NaCl and KCl was calculated through equilibrium (EMD) and nonequilibrium molecular-dynamics (NEMD) simulations in the canonical (N,V,T) ensemble. Two rigid-ion potentials were investigated, namely, the Born-Mayer-Huggins-Tosi-Fumi potential and the Michielsen-Woerlee-Graaf-Ketelaar potential with the parameters proposed by Ladd. The NEMD simulations were performed ...

Viscosity minima in binary mixtures of ionic liquids + molecular solvents.

The viscosity (η) of four binary mixtures (ionic liquids plus molecular solvents, ILs+MSs) was measured in the 283.15 < T/K < 363.15 temperature range. Different IL/MS combinations were selected in such a way that the corresponding η(T) functions exhibit crossover temperatures at which both pure components present identical viscosity values. Consequently, most of the obtained mixture isotherms,...

Shear Viscosity via Periodic Nonequilibrium Molecular Dynamics

Naitoh and Ono, by Simulating Couette flow, re­ cently measured the hardsphere viscosity coefficient for 108 hard spheres at the freezing density [1]. A pe­ riodic system undergoing homogeneous shear was studied with molecular dynamics. Similar calculations have also been carried out using the Lennard-Jones REE-EYRING potential [2-4]. At the freezing density Naitoh and Ono use a square­ "N ALDE...

Ultrafast Structure and Dynamics in Ionic Liquids: 2D-IR Spectroscopy Probes the Molecular Origin of Viscosity.