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. 2023 Jul 11;127(28):6342–6353. doi: 10.1021/acs.jpcb.3c02604

Table 1. Ionic Liquid Dynamic Viscosities Calculated from MD Simulation Trajectories Compared with Fits of Experimental Measurements Calculated at T = ⟨TNVEa.

  TSim. (K)
η (cP)
cation Ttarget TNVE ηSim. ηExpt-Fit
Bmim+ 325 327.7 15.1 17.8
400 401.3 4.0 4.1
EOMmim+ 325 326.7 17.4 16.6
400 402.8 3.8 3.7
ESMmim+ 325 327.6 14.7 30.0
400 404.2 3.5 4.8
BmPyrr+ 400 402.6 9.0 4.7
EOMmPyrr+ 400 399.9 8.1 4.4
ESMmPyrr+ 400 401.6 8.9 7.0
a

Parameters for the VTF equation are given in Table 2.