Stokes–Einstein–Debye relation in TIP5P water

Abstract The Stokes–Einstein–Debye (SED) relation in TIP5P water is tested with the original formula and its variants within the temperature range 240–390 K. The results indicate that although the variants explicitly break down, the original SED relation is almost valid. Compared with the Stokes–Einstein relation, no explicit decoupling is observed in translational and rotational motion. Variation of the effective hydrodynamic radius is critical to testing the validity of the SED relation.