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For certain ionic compounds, the calculation of the lattice energy requires the explicit inclusion of polarization effects. [7] In these cases the polarization energy E pol associated with ions on polar lattice sites may be included in the Born–Haber cycle.
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 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.
Born–Haber cycles are used primarily as a means of calculating lattice energy (or more precisely enthalpy [note 1]), which cannot otherwise be measured directly. The lattice enthalpy is the enthalpy change involved in the formation of an ionic compound from gaseous ions (an exothermic process ), or sometimes defined as the energy to break the ...
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.
The proper calculation of electrostatic lattice constants has to consider the crystallographic point groups of ionic lattice sites; for instance, dipole moments may only arise on polar lattice sites, i. e. exhibiting a C 1, C 1h, C n or C nv site symmetry (n = 2, 3, 4 or 6). [11]
Flory–Huggins solution theory is a lattice model of the thermodynamics of polymer solutions which takes account of the great dissimilarity in molecular sizes in adapting the usual expression for the entropy of mixing. The result is an equation for the Gibbs free energy change for mixing a polymer with a solvent. Although it makes simplifying ...
Here, a A (1-x) B x is the lattice parameter of the solid solution, a A and a B are the lattice parameters of the pure constituents, and x is the molar fraction of B in the solid solution. Vegard's law is seldom perfectly obeyed; often deviations from the linear behavior are observed. A detailed study of such deviations was conducted by King. [3]