Effect of Additives on the Morphology of γ-Aminobutyric Acid Crystals.

ABSTRACT

The effect of surfactant, polymer, and tailor-made additives on the crystallization of γ-aminobutyric acid (GABA) was studied in this work. Cooling crystallization of GABA in water yielded plate-like crystals. In the presence of sodium stearate, polyhedral block-like crystals of GABA were obtained. Hydroxyethyl cellulose (HEC) led to rod-like crystals, in which the morphology was associated with additive concentrations. Six kinds of amino acids were used as tailor-made additives, and they exhibit different influences on crystal shape and size. The induction time of GABA was determined in the absence and presence of additives. The results showed that sodium stearate promoted nucleation, while HEC, l-Lysine, l-histidine, and l-tyrosine inhibited nucleation. Crystal face indexing, Hirshfeld surface analysis, and molecular dynamics (MD) simulation in aqueous solution-crystal systems were carried out to investigate the affecting factors of different crystal faces. The polymer additive was selected as an example during MD simulation to calculate intermolecular interactions between the crystal face and solvent or additive. The effect of the additive on the mobility of the solute in solution was also evaluated by mean-square displacement. The additive offers an effective approach for changing crystal morphology and particle size and adapting it to different production requirements.