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 |