Table 6. Calculated Physical Properties of Some Water Models at 25 °C and 101.3 kPaa.
model | dipole moment [D] | dielectric const | self-diffusion, 10–5 [cm2 s–1] | density max [°C] | expansion coeff, 10–4 [°C–1] |
---|---|---|---|---|---|
SPC | 2.27 | 65 | 3.85 | –45 | 7.3b |
SPC/E | 2.35 | 71 | 2.49 | –38 | 5.14 |
TIP3P | 2.35 | 82 | 5.19 | –91 | 9.2 |
iAMOEBA | 2.78 | 80.7 | 2.54 | 4 | 2.5 |
TIP4P | 2.18 | 53 | 3.29 | –25 | 4.4 |
TIP4P-Ew | 2.32 | 62.9 | 2.4 | 1 | 3.1 |
TIP4P/2005 | 2.305 | 60 | 2.08 | 5 | 2.8 |
TIP5P | 2.29 | 81.5 | 2.62 | 4 | 6.3 |
TIP5P-Ew | 2.29 | 92 | 2.8 | 8 | 4.9 |
exptl | 2.95 | 78.4 | 2.3 | 3.984 | 2.53 |
Data collected from ref (37).
At 27 °C.