Dehydration energies of alkaline earth metal halides - a novel simulation methodology

The apparent dehydration energies and surface potentials of diverse alkaline earth halides are computed employing a novel simulation methodology incorporating hydration numbers, ion pairing effects and random distribution of molecules. The progressive variation of the hydration numbers and hydrated radii are estimated. The significance of the formalism in rationalizing the trend in the variation of the solubility, lattice energy, etc. is indicated.