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2014, N3, pp. 28-35

V.A. Golubev, M.Yu. Nikiforov, G.A. Alper

Solubility of caffeine in a binary solvent supercritical CO2methanol

The association constant caffeinemethanol at 313 K is determined using 1H NMR. The caffeine solubility in a mixed solvent supercritical carbon dioxide (SC-CO2) methanol is calculated taking into consideration the experimentally measured value of association constant in the framework of ASL model (Associated Solution + Lattice) based on the theory of molecular association and a simple lattice model. Individual contributions to the solubility are obtained and relative role of various factors determining the solubility of caffeine in the mixed solvent are analyzed. The presence of a maximum on the dependence of the solubility of caffeine versus the methanol content in the system SC-CO2 methanol is predicted.

Key words: molecular association, solubility, supercritical fluid, mixed solvent

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