A NEW APPROACH TO LATTICE POTENTIAL ENERGY CALCULATION AND THE ASSESSMENT OF THE THERMOCHEMISTRY OF KNOWN AND HYPOTHETICAL REACTIONS INVOLVING CONDENSED STATE IONIC MATERIALS

摘要

As a result of recent developments the lattice potential energies for complex inorganic salts containing new and novel cations and anions and complex oxides and minerals can be estimated very simply from a knowledge of the formula unit volume (obtained from crystal structure data) and the ionic strength. By employing simple equations, suitable for use by nonexperts, a methodology has been developed by means of which the assessment of the likely thermochemistry underpinning the synthesis or decomposition of hypothetical, as well as real, target inorganic materials can be made. The approach enables the increased thermoche-mical quantification of inorganic chemistry.