Morphology prediction of crystals grown in the presence of impurities and solvents — An evaluation of the state of the art

Computational methods enable to calculate relative face growth rates and crystal shape from structural information alone. Even if these models are sufficient for the calculation of the habit of a vapor grown crystal, most of them fail to correctly reproduce the habit of crystal growth from solution. In recent years, new approaches have been proposed based on the substitution of additive molecules in the crystal lattice or on the surface of the crystal. The new computer-based approaches provide a fundamental understanding of processes of crystal growth from solution. The number of methods proposed in morphology prediction is enormous. Herein, an overview of these methods and approaches is provided.

► State of the art in morphology prediction. ► Various computational prediction methods are presented. ► Tailor-made action of additives is considered. ► Crystal growth occurred in presence of solvents.