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

Table 8. Shear Viscosity η (mPa·s) Estimated by All Force Fields at Temperature T = 303 K, and Pressure p = 1 bara.

force field η/mPa·sb Δη (%)
force field of ref (2) not estimable within 25 ns run not estimable
OPLS 20.47 ± 0.04 99.05
this work 11.43 ± 0.15 10.02
literature 10.228,56 10.0529  
  10.30,53 10.07457  
  10.401052  
a

Experimentally determined value of shear viscosity is 10.284 mPa·s.54

b

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