Autor(en): | Lange, Linda Heisel, Stefan Sadowski, Gabriele |
Titel: | Predicting the solubility of pharmaceutical cocrystals in solvent/anti-solvent mixtures |
Sprache (ISO): | en |
Zusammenfassung: | In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes. Modeling results and experimental data were compared for the cocrystal system nicotinamide/succinic acid (2:1) in the solvent/anti-solvent mixtures ethanol/water, ethanol/acetonitrile and ethanol/ethyl acetate at 298.15 K and in the ethanol/ethyl acetate mixture also at 310.15 K. The solubility of the investigated cocrystal slightly increased when adding small amounts of anti-solvent to the solvent, but drastically decreased for high anti-solvent amounts. Furthermore, the solubilities of nicotinamide, succinic acid and the cocrystal in the considered solvent/anti-solvent mixtures showed strong deviations from ideal-solution behavior. However, by accounting for the thermodynamic non-ideality of the components, PC-SAFT is able to predict the solubilities in all above-mentioned solvent/anti-solvent systems in good agreement with the experimental data. |
Schlagwörter: | Cocrystal Crystal engineering Thermodynamics Solubility Phase diagram Solvent mixtures |
Schlagwörter (RSWK): | Kokristallisation Pharmazeutische Chemie |
URI: | http://hdl.handle.net/2003/38300 http://dx.doi.org/10.17877/DE290R-20270 |
Erscheinungsdatum: | 2016-05-07 |
Rechte (Link): | https://creativecommons.org/licenses/by/4.0/ |
Enthalten in den Sammlungen: | Lehrstuhl Thermodynamik |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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molecules-21-00593.pdf | 7.15 MB | Adobe PDF | Öffnen/Anzeigen |
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