A multi-state empirical valence bond model for weak acid dissociation in aqueous solution

The development and application of a multistate empirical valence bond model for a weak acid dissociation and subsequent proton transport in aqueous solution is reported. It is observed that since the concentration of the weak acid in the system is low, its presence has minimal effect on the solvent diffusion and on the transfer dynamics of the excess proton in the water solution after the weak acid dissociation step.