Dependence of thermal diffusion factor of binary mixtures to the thermodynamic state by NEMD simulation

The dependence of thermal diffusion factor to mole fraction of heavier component also investigated. The inverse of thermal diffusion factor versus mole fraction of heavier component is linear for isotope mixtures at thermodynamic conditions: (a) Low temperature, large mass ratio and all densities. (b) High temperature, large mass ratio and low densities. For Ne-Kr mixture, the inverse of thermal diffusion factor shows a linear dependence to the mole fraction of heavier component in moderate temperatures and all densities. For SF6-Ar and Xe-SF6 mixtures, the inverse of thermal diffusion factor has linear behaviour at moderate temperatures and low density and high temperature and low density, respectively.