Table 3.
The decane-water interfacial tensions calculated using a combination of various force fields. Two standard errors of the mean are presented in parentheses. Experimental values are averaged from Zeppieri et al.61, Goebel & Lunkenheimer62 and Aveyard & Haydon63.
| Oil Model | Water Model | γ(mN/m) | (%) |
|---|---|---|---|
| TraPPE-UA | TIP4P2005 | 56.7 (1.7) | + 8 |
| TraPPE-UA | TIP4P2005* | 54.2 (1.0) | + 3 |
| CGenFF | SPC/E | 55.3 (1.2) | + 5 |
| CGenFF | TIP3Pc | 48.2 (1.2) | |
| CGenFF | TIP4P | 51.9 (1.8) | |
| Experiment | 52.5 (0.6) |