Table 1. Free energy and Na+/K+ 8-coordination state (kcal/mol).
Model | ΔΔG | ΔGsite(n) | ΔGbulk | ΔGbulk(n) | ΔJ(n) |
---|---|---|---|---|---|
Param27 | 5.93 | -12.37 | -18.30 | -16.96 | 1.61 |
Drude | 6.24 | -11.06 | -17.30 | -15.80 | 1.12 |
Model | ΔΔG | ΔGsite(n) | ΔGbulk | ΔGbulk(n) | ΔJ(n) |
---|---|---|---|---|---|
Param27 | 5.93 | -12.37 | -18.30 | -16.96 | 1.61 |
Drude | 6.24 | -11.06 | -17.30 | -15.80 | 1.12 |