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