Skip to main content
. 2020 Oct 21;5(43):28285–28295. doi: 10.1021/acsomega.0c04243

Table 3. Density ρsim (kg·m–3) of Liquid Sulfolane Estimated by all Force Fields at Temperature T = 303 K and Pressure p = 1 bara.

force field ρsimb Δρ (%)
force field of ref (2) 1297.15 ± 1.8 2.71
OPLS 1250.00 ± 0.3 –1.02
this work 1292.28 ± 0.4 2.33
literature 1262,53 1262.329  
  1261.9,54 1260.455  
  1260.4,56 1260.8057  
a

Experimental density at the same state point is ρexp = 1262.9 kg·m–3 (ref (52)).

b

The expanded uncertainty (U) is reported at 95% level of confidence.