Table 1.
The surface tensions, liquid densities and interfacial widths of the decane-vapour interface at 293.15 K using various force fields. Two standard errors of the mean are presented in parentheses. Experimental datum has been reproduced from the NIST standard reference database51.
| Oil Model | γ | ρ l | Δ | |
|---|---|---|---|---|
| (mN/m) | (%) | (g/cm3) | (Å) | |
| TraPPE-UA | 22.6 (0.4) | −5 | 729.8 | 6.0 |
| CGenFF | 25.7 (1.6) | + 8 | 741.5 | 5.6 |
| OPLS-AA | 22.6 (0.4) | −5 | 730.3 | 5.9 |
| Experiment51 | 23.823 | 730.33 |