(Bulk crystal growth)

The crystal growth rate of the (001) face (R(001)) and the (011) face (R(011)) of Ibuprofen crystals spontaneously nucleated in stagnant solutions as a function of solvent (ethanol 95%, ethyl acetate, acetonitrile and toluene), the supersaturation level and reactor scale size (0.5ml and 15ml) is presented together with a determination of the solubility as a function of temperature. The data reveal the solubility of (RS)-Ibuprofen in these solvents shows a less than ideal behaviour, which is consistent with strong solute-solute interactions, particularly the case of acetonitrile. The growth rate of (001) and (011) face increases with increasing supersaturation σ. R(011) is much greater than R(001), in particular crystals grown in ethyl acetate, acetonitrile and toluene, result in higher aspect ratio shapes in these solvents. At similar σ, R(011) is lowest in ethanol and highest in acetonitrile. R(001) is lowest in toluene and highest in ethanol and ethyl acetate. In ethyl acetate, R(011) is less at σ > 0.76 in comparison to σ < 0.76. Aspect ratios at two scale-sizes: cuvette 0.5 ml and small vessel 15ml decrease with increasing supersaturation. Growth rates of both faces are higher at a 15ml scale size in comparison to a 0.5ml scale size. In addition, analysis of the growth rate versus supersaturation is consistent with a 2-D surface nucleation for both the (001) and the (011) face in both scale sizes for most of cases; except for R(011) in ethyl acetate σ < 0.76, R(011) in ethanol, and R(001) in toluene, both the Burton, Cabrera and Frank (BCF) and Birth and Spread models are fitted well indicating that both mechanisms are present in this supersaturation region.

The growth rate of each face in different solvents was rationalized by the interaction between solvent and the structures of specific growing faces characterized by molecular modeling. For example, polar solvents are likely to be inhibiting the growth rate of faces which contain available sites or groups for hydrogen bonding formation, e.g. carboxylic acid group -COOH.

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