Langmuir, Vol.20, No.5, 1871-1876, 2004
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 W 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.