On the Madelung Parameter and Electrostatic Energy of Potassium Sulfate

Abstract

The Madelung parameter and electrostatic energy change for the process, K2SO4(c)→ 2K+(g)+SO42−(g), have been computed as single parameter, quadratic functions of the charge Q(0) on the oxygen atoms of the SO42− ion. A comparison of the present calculations (based on the Ewald-Bertaut method) and existing calculations (based on the Evjen method) for the cases where Q(0) = 0 and −1 is made. A value for the electrostatic energy of the lattice is suggested on the basis of recent SCF calculations of Q(0) for the SO42− ion.