MODELING THE MORPHOLOGY OF MOLECULAR-CRYSTALS IN THE PRESENCE OF BLOCKING TAILOR-MADE ADDITIVES

A generalized approach to predicting the morphology of molecular cryst als in the presence of blocker tailor-made additives is presented and described. This work extends previous morphological modelling techniqu e developed by the authors which apply the atom-atom method to calcula te surface attachment energy, and hence crystal growth rate, as a func tion of growth direction. The overall approach is illustrated with the case example of the naphthalene/biphenyl host/additive system.