Table 3. Coordination number of Nafion® ten-chain model for water molecules using a cut-off of 4.725 Å and hydronium ion using a cut-off of 4.275 Å at 300 K around the sulphur atoms.
| Hydration level (λ) | H2O | H3O+ |
|---|---|---|
| 3.5 | 3.31 | 1.92 |
| 7 | 5.70 | 0.950 |
| 10 | 6.61 | 0.648 |
| 13 | 7.09 | 0.488 |
| 16 | 7.26 | 0.406 |