Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution
We estimate both single ion hydration Gibbs free energies in water droplets, comprising from
50 to 1000 molecules, and water/vacuum surface potentials in pure water droplets
comprising up to 10 000 molecules. We consider four ions, namely, Li+, NH 4+, F−, and
Cl−, and we model their hydration process and water/water interactions using polarizable
force fields based on an induced point dipole approach. We show both ion hydration Gibbs
free energies and water surface potentials to obey linear functions of the droplet radius as …
50 to 1000 molecules, and water/vacuum surface potentials in pure water droplets
comprising up to 10 000 molecules. We consider four ions, namely, Li+, NH 4+, F−, and
Cl−, and we model their hydration process and water/water interactions using polarizable
force fields based on an induced point dipole approach. We show both ion hydration Gibbs
free energies and water surface potentials to obey linear functions of the droplet radius as …
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