Dehydration energies of alkali metal halides. A new simulation methodology involving mean nearest neighbor distances and thermodynamic forces

Dehydration energies of various alkali metal halides are estimated by employing a novel simulation methodology with the help of hydrated molecular radii. The hydration numbers at (i) infinite dilution and (ii) each movement of the molecules are calculated by employing random distribution of species in conjunction with ionic and molecular sizes. A satisfactory agreement with the reported estimates is noticed.