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The calculated lattice energy gives a good estimation for the Born–Landé equation; the real value differs in most cases by less than 5%. Furthermore, one is able to determine the ionic radii (or more properly, the thermochemical radius) using the Kapustinskii equation when the lattice energy is known.
The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.
The concept of lattice energy was originally applied to the formation of compounds with structures like rocksalt and sphalerite where the ions occupy high-symmetry crystal lattice sites. In the case of NaCl, lattice energy is the energy change of the reaction Na + (g) + Cl − (g) → NaCl (s) which amounts to −786 kJ/mol. [2]
A Born–Haber cycle applies Hess's law to calculate the lattice enthalpy by comparing the standard enthalpy change of formation of the ionic compound (from the elements) to the enthalpy required to make gaseous ions from the elements. This lattice calculation is complex.
The law states that the total enthalpy change during the complete course of a chemical reaction is independent of the sequence of steps taken. [2] [3] Hess's law is now understood as an expression of the fact that the enthalpy of a chemical process is independent of the path taken from the initial to the final state (i.e. enthalpy is a state ...
The Born–Mayer equation is an equation that is used to calculate the lattice energy of a crystalline ionic compound.It is a refinement of the Born–Landé equation by using an improved repulsion term.
For many substances, the formation reaction may be considered as the sum of a number of simpler reactions, either real or fictitious. The enthalpy of reaction can then be analyzed by applying Hess' law, which states that the sum of the enthalpy changes for a number of individual reaction steps equals the enthalpy change of the overall reaction.
It may provide or confirm basic enthalpy data needed for the calculation of phase diagrams of metals, via CALPHAD or ab initio quantum chemistry methods. For a binary system composed by elements A and B, a generic Miedema Formula could be cast as Δ H = f ( E l e m e n t A , P h i A , n W S A , V A , E l e m e n t B .