Table 4.

Simulated water self-diffusivity for pure water compared with experimental and SEGWE tool values.

Water Self diffusivity at 298 K—[10–9 m2/s]
Insilico Model (water)—TIP3P model	5.64
Insilico Model (water)—SPC/E model	2.52
Experimental Values33	2.3
SEGWE25	2.128