Table 7. Surface Tension γ (mN·m–1) of Liquid Sulfolane at Temperature T = 303 K and Pressure p = 1 bar Calculated Using Different Force Fieldsa.
force field | γ/mN·m–1b | Δγ (%) |
---|---|---|
force field of ref (2) | 53.43 ± 4.6 | 50.51 |
OPLS | 45.50 ± 1.6 | 28.17 |
this work | 34.62 ± 0.5 | –2.48 |
literature | 35.564 | |
35.5c | ||
47.9529 |
Experimentally determined value is ηexp = 35.50.63
The expanded uncertainty (U) is reported at 95% level of confidence.