Authors: Lange, Linda
Heisel, Stefan
Sadowski, Gabriele
Title: Predicting the solubility of pharmaceutical cocrystals in solvent/anti-solvent mixtures
Language (ISO): en
Abstract: 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.
Subject Headings: Cocrystal
Crystal engineering
Thermodynamics
Solubility
Phase diagram
Solvent mixtures
Subject Headings (RSWK): Kokristallisation
Pharmazeutische Chemie
URI: http://hdl.handle.net/2003/38300
http://dx.doi.org/10.17877/DE290R-20270
Issue Date: 2016-05-07
Rights link: https://creativecommons.org/licenses/by/4.0/
Appears in Collections:Lehrstuhl Thermodynamik

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