Theoretical studies of the kaolin minerals : Electrostatic calculations

The kaolin minerals are not ideal ionic solids but, for many purposes, they can be treated as such. The classical ionic theory allows the calculation of the potential energy of these minerals. By minimizing the potential energy as a function of one or more parameters (distances, angles, etc.) one can determine hydroxyl orientations, the stability of layer stackings, strength of the interlayer bonding and the existence of hydrogen bonding. Some of these calculations suggest that fluorine exchanged for hydroxyl should radically alter the interlayer bonding. Recent experimental work confirms this.