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. 2025 Aug 26;15(37):30290–30301. doi: 10.1039/d5ra05434f

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