Prediction of Solubilities of Complex Medium-sized Chemicals. II. Solutes in Mixed Solvents

Abstract

Our systematic approach for predicting the solubility of sparingly soluble solid fine chemicals and pharmaceuticals in pure solvents is extended to all compositions of fully miscible mixed solvents. Group contribution correlations are used for computing the difference in solubility at infinite dilution in the system of interest from an optimal reference solvent. The method minimizes the impact of uncertainties in pure-solute properties, decreases the number of adjustable parameters to be determined by data reduction, and suggests an efficient experimental strategy to find any unknown parameters. Several examples illustrate the method for mixed systems.

Keywords:

• Mixed solvents
• Fugacity
• UNIFAC parameters
• Binary parameters

Notes

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