A new technique for predicting the shape of solution-grown organic crystals

A method for predicting the shape of solution-grown organic crystals is presented. The shapes depend on properties of their internal crystal structure, as well as on the processing environment. The model developed here can account for the effects of solvent and may be extended to account for the influence of certain types of additives. This method may be used as a first approach for including crystal shape in the overall design and optimization of organic solids-processes. The technique has been used successfully to predict the shape of adipic acid grown from water, biphenyl from toluene, and ibuprofen from polar and nonpolar solvents.