Shear viscosities η (cP), obtained by NpT NEMD simulations for the ILs studied at 300 Ka.
| LI | η | η exp | η sim | Δηb (%) |
|---|---|---|---|---|
| [C4mim][PF6] | 163.86 | 224.74 (ref. 44) | 264.4 (ref. 13)d | −27.09 |
| 228.81 (ref. 45) | −28.39 | |||
| 257.36 (ref. 46) | −36.33 | |||
| 450 (ref. 47) | −63.59 | |||
| 38.4c | 25.51 (ref. 44)c | 39 (ref. 29)e | 50.53 | |
| 27.08 (ref. 48)c | 31.3 (ref. 49)f | 41.08 | ||
| 32.33 (ref. 46)c | 231.3 (ref. 49)f | 18.33 | ||
| [C4mim][BF4] | 84.49 | 90.61 (ref. 44) | 97.8 (ref. 13)d | −6.75 |
| 86.8 (ref. 46) | 111.2 (ref. 31)d | −2.66 | ||
| 107.32 (ref. 48) | −21.27 | |||
| 219 (ref. 47)g | −61.42 | |||
| [C4mim][OMs] | 52.81h | 31.25 (ref. 56)h | N/A | 68.99 |
| [C4mim][NTf2] | 53.67 | 46.24 (ref. 44) | 537.80 (ref. 59) | 16.07 |
| 46.5 (ref. 46) | 45 (ref. 11)g | 15.42 | ||
| 46.44 (ref. 57) | 72.09 (ref. 60)g | 15.57 | ||
| 46.79 (ref. 58) | 49.9 (ref. 13)d | 14.7 | ||
| 69 (ref. 47)g | −22.22 | |||
| [C4mim][CF3COO] | 58.22 | 63.2 (ref. 62) | N/A | −7.88 |
| 70.02 (ref. 44) | −16.85 | |||
| [C4mim][Br] | 160.14 | 200 (ref. 63) | 231.1 (ref. 13)d | −19.93 |
| 230 (ref. 63)d | −30.37 | |||
| 161.05 (ref. 64)d,i | −0.57 | |||
| 1486.49 (ref. 65)d | −89.23 |
a
η, ηexp and ηsim refer to calculated values in this work, experimental values (from literature), and simulated values (from literature), respectively. Experimental and simulated values were taken from their corresponding references.
b
Δη = (η − ηexp)/ηexp.
c
At 350 K.
d
At 298 K.
e
At 353 K.
f
At 360 K.
g
At 298.15 K.
h
At 358.15 K.
i
At 5.74 mol L−1 IL concentration in aqueous solution.