Prediction of Thermophysical Properties of Ionic Liquids (ILs) by Implementation of Hole Theory

In this approach we utilized the calculated data of diffusion coefficient via MD simulation,i.e. MSD (Mean Square Displacement) (…). According to the EQ., 1 one can estimate viscosity coefficient by knowing the diameter ofmolecule. We postulated this diameter is given by Hole theory (Hydrodynamic Hole Radius).The values of surface tensions of ILs are calculated through Fowler, Kirkwood & Buffequation[1]. (...). Assessment of the Stokes-Einstein equation is depicted by drawing of (Dη)/ (T) versus 1/r.Our severe test confirms the linearity of diagram and then verifies the validity of the aforesaidapproach.

کلیدواژه ها:

Ionic Liquids ، Transport Properties ، Intermolecular Potentials ، Stokes-Einstein relation ، Hole Theory ، Radius of Ions