A thermodynamic analysis of the first solvation shells of alkali and halide ions in liquid water and in the gas phase

摘要

Let n denote the number of water molecules in the nearest-neighbour shell (NS) of an ion S± in liquid water, and denote J* H2O in the gas phase by J* NSG (g). The standard free energy of hydration AGJyd (J1 -NSG) can then be deduced by a thermodynamic cycle involving AG° for the formation of J± NSG (g) and A