TABLE 3:
Surface Tension (dyn/cm) of the Water/Vapor Interface with a Given LJ Cutoff (rc)a
rc (Å) |
||||||
---|---|---|---|---|---|---|
method | water model | temp (K) | 8 | 10 | 12 | 25 |
PME | TIP3P | 303.15 | 44.1 ± 0.6 | 47.5 ± 0.6 | 51.6 ± 0.6 | 54.8 ± 0.5 |
TIP3P | 323.15 | 41.5 ± 0.5 | 45.7 ± 0.3 | 47.7 ± 0.4 | 51.3 ± 0.4 | |
TIP4P-Ew | 323.15 | 49.2 ± 0.7 | 53.2 ± 0.6 | 53.7 ± 0.9 | 59.2 ± 0.7 | |
2D IPS | TIP3P | 303.15 | 55.1 ± 0.5 | 54.1 ± 0.5 | 55.3 ± 0.4 | |
TIP3P | 323.15 | 50.9 ± 0.5 | 50.7 ± 0.4 | 52.2 ± 0.7 | ||
TIP4P-Ew | 323.15 | 57.4 ± 0.6 | ||||
3D IPS | TIP3P | 303.15 | 51.4 ± 0.3 | 53.6 ± 0.8 | 54.4 ± 0.6 | |
TIP4P-Ew | 323.15 | 58.0 ± 0.6 | 58.7 ± 0.7 | 59.0 ± 0.6 | ||
PME/IPS | TIP3P | 323.15 | 47.9 ± 0.5 | 49.6 ± 0.5 | ||
TIP4P-Ew | 323.15 | 56.6 ± 0.3 | 57.2 ± 0.9 |
Experimental values at 303.15 and 323.15 K are 71.2 and 67.9 dyn/cm, respectively.27