Journal
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B
Volume 9, Issue 7, Pages 1054-1058Publisher
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1990793115070076
Keywords
molecular association; solubility; supercritical fluid; mixed solvent
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Funding
- Russian Foundation for Basic Research [12-03-0075-a]
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The caffeine-methanol association constant at 313 K has been determined by H-1 NMR spectroscopy. The caffeine solubility in the supercritical carbon dioxide (SC-CO2)-methanol mixed solvent has been calculated using the association constant experimentally measured by NMR in the framework of the associated solution + lattice (ASL) model, which is based on the theory of molecular association and a simple lattice model. Individual contributions to the solubility have been determined, and the relative role of various factors determining the solubility of caffeine in the mixed solvent has been analyzed. The caffeine solubility as a function of the methanol content of the SC-CO2-methanol system is predicted to pass through a maximum.
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