Viscosity and self-diffusion coefficient of dipolar liquids

Equilibrium molecular dynamics simulations were used to calculate the viscosity and self-diffusion coefficient of Stockmayer fluids at different dipole moments from the saturated liquid state to the supercritical fluid state. On the basis of the theory of Longuet-Higgins and Pople (J. Chem. Phys. 25 (1956) 884) a physically based correlation equations was proposed for the correlation of density, temperature and dipole moment dependence of viscosity and self-diffusion coefficient simulation data. As an application, with appropriate Stockmayer parameter sets the viscosity of fluoroalkanes were calculated along the saturated liquid curves, and good agreement has been obtained between the experimental and correlation equation data.