Phase Solubility Diagrams of Cocrystals Are Explained by Solubility Product and Solution Complexation

Autor:	Sarah J. Nehm, Naír Rodríguez-Hornedo, Barbara Rodríguez-Spong
Rok vydání:	2005
Předmět:	Nicotinamide Chemistry Inorganic chemistry Ethyl acetate General Chemistry Solubility equilibrium Condensed Matter Physics Cocrystal chemistry.chemical_compound Computational chemistry Phase (matter) General Materials Science Solubility Equilibrium constant Stoichiometry
Zdroj:	Crystal Growth & Design. 6:592-600
ISSN:	1528-7505 1528-7483
DOI:	10.1021/cg0503346
Popis:	The purpose of this work was to develop a mathematical model that describes the solubility of cocrystals by taking into consideration the equilibria between cocrystal, cocrystal components, and solution complexes. These models are applied to the phase diagrams of carbamazepine/nicotinamide (CBZ/NCT) cocrystal in organic solvents. The CBZ/NCT (1:1) cocrystal solubility was measured by suspending cocrystal in solutions of varying nicotinamide concentrations in ethanol, 2-propanol, or ethyl acetate. Results show that the solubility of the cocrystal decreases with increasing nicotinamide concentration. Mathematical models demonstrate that (1) the solubility of a cocrystal AB is described by the solubility product of cocrystal components and by solution complexation constants, (2) these equilibrium constants can be determined from solubility methods, and (3) graphical representation of the cocrystal solubility dependence on ligand concentration will serve as a diagnostic tool for the stoichiometry of solution ...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c188939b5ba5ca20e2781e8c24441896 https://doi.org/10.1021/cg0503346 Zobrazit plný text záznamu