Table 1. Diffusion coefficients (in 10−11 m2 s−1) of RTILs at 1 bar and different temperatures.
| Cation | Anion | |
|---|---|---|
| [C4mim+][Tf2N−] (300 K) | ||
| Bulk(sim.) | 2.52 | 1.92 |
| Bulk(exp.)34 | 2.2 | 1.6 |
| Confined(CNT(20,20)) | 28.69 | 28.59 |
| Confined(CNT(40,40)) | 4.32 | 4.32 |
| Confined(CNT(34,0)) | 4.12 | 4.12 |
| Confined(Graph.) | 0.101 | 0.101 |
| Confined(SiOH) | 0.508 | 0.203 |
| [C4mim+][Tf2N−] (400 K) | ||
| Bulk(sim.) | 16.56 | 11.9 |
| Confined(CNT(20,20)) | 63.616 | 62.916 |
| [C8isoq+][Tf2N−] (400 K) | ||
| Bulk(sim.) | 2.62 | 2.72 |
| Confined(CNT(20,20)) | 152.442 | 152.642 |
| [Me3BuN+][Tf2N−] (400 K) | ||
| Bulk(sim.) | 0.301 | 0.201 |
| Confined(CNT(20,20)) | 48.912 | 48.712 |
The statistical errors were estimated using the block average method from 5 trajectories. The subscripts give the accuracy of the last decimal(s), e.g. 2.58 means 2.5 ± 0.8 and 63.616 means 63.6 ± 1.6.