2014, №3

pp. 28-35

Solubility of caffeine in a binary solvent supercritical CO2—methanol

2014, №3

сс. 28-35

Quote

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

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

The association constant caffeine—methanol 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.