Prediction of the growth morphology of aminoacid crystals in solution: I. α-Glycine

• Published in: Journal of crystal growth Vol. 191; no. 4; pp. 791 - 802
• Main Authors: Lin, C.H., Gabas, N., Canselier, J.P., Pèpe, G.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.08.1998; Elsevier
• Subjects: Additive; Cross-disciplinary physics: materials science; rheology; Crystal morphology; Exact sciences and technology; Glycine; Materials science; Methods of crystal growth; physics of crystal growth; Molecular modelling; Physics; Solvent; Theory and models of crystal growth; physics of crystal growth, crystal morphology and orientation; Additive; Molecular modelling; Crystal morphology; Glycine; Solvent; Additives; PBC method; Equilibrium shape; Theoretical study; Controlled atmospheres; Intermolecular interaction; α-Aminoacid; Aqueous solutions; Crystal growth from solutions; Interaction energy; Organic compounds; Solvent effects
• ISSN: 0022-0248; 1873-5002
• DOI: 10.1016/S0022-0248(98)00130-4

A modified attachment energy model is developed, attempting to predict morphologies of crystals in aqueous solution, and even in the presence of adsorbing additives. Calculation of the habit of glycine ( α-form) crystals in vacuo and in pure water, by means of the GenMol software, yields successful predictions. Our model mainly justifies the occurrence of the {1 2 0} form in aqueous solution, not predicted by the classical growth morphology (BFDH or attachment energy) models.