http://hdl.handle.net/20.500.12128/21858
Title: | Pressure dependence of the crystallization rate for the S-enantiomer and a racemic mixture of ibuprofen |
Authors: | Koperwas, Kajetan Tu, Wenkang Affouard, Frédéric Adrjanowicz, Karolina Kaśkorz, Filip Paluch, Marian |
Keywords: | Interfaces; Crystallization; Liquids; Insulators; Nucleation; Ibuprom; S-Enantiomer |
Issue Date: | 2021 |
Citation: | "Crystal Growth and Design" (2021), no. 0, s. 1-12 |
Abstract: | This paper examines the pressure effect on the crystallization rate of the pharmaceutically active enantiomerically pure S-enantiomer and the racemic mixture of the well-known drug ibuprofen. Performed experimental studies revealed that at ambient pressure S-ibuprofen crystallizes faster than the racemic mixture. When the pressure increases, the crystallization rate slows down for both systems, but interestingly it is more apparent in the case of the S-enantiomer. It is found that this experimentally observed trend can be understood based on the predictions of the classical nucleation theory. We suggest that the solid−liquid interfacial free energy is the main reason for the observed variations in S- and RS-ibuprofen’s stability behaviors. Employing a special method of computational studies, i.e., the capillary fluctuation method, we show that the increase in pressure affects the solid−liquid interfacial free energy for S- and RS-ibuprofen in an entirely different way. Importantly, the detected differences correspond to the experimentally observed variations in the overall crystallization rates. |
URI: | http://hdl.handle.net/20.500.12128/21858 |
DOI: | 10.1021/acs.cgd.1c00980 |
ISSN: | 1528-7505 |
Appears in Collections: | Artykuły (WNŚiT) |
File | Description | Size | Format | |
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Koperwas_pressure_dependence_of_the_crystalization.pdf | 3,09 MB | Adobe PDF | View/Open |
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