Equations for the repulsion component of the lattice energy as derived from a direct minimisation of the total lattice energy

Abstract

Manipulation of terms in a recently derived lattice energy equation, applicable to salts containing complex ions, enables us to produce a repulsion energy equation which has the advantage that the normal repulsion constant, ρ, occurs as a multiplicative constant rather than in its normal exponential form, exp (–a/ρ). The advantages of the equation, in addition to this reduced sensitivity to variations in ρ, are that it can be used in the term-by-term evaluation of the lattice energy of salts in the same manner as the Huggins and Mayer equation. The similarity of the equation to others in the literature is noted.