Solubility of pyrene in simple and mixed solvent systems

Abstract

The solubility of pyrene was experimentally determined in simple and complex solvent systems (single, binary, ternary, quaternary and pentinary solvent systems) composed of benzene, ethylbenzene, hexane, hexanol and methylcyclohexane over a temperature range from 293 to 318 K. In addition, six models were used in this study to represent pyrene solubility in the different solvent systems. The interaction parameters for modified Wilson, NIBS/Redlich-Kister, UNIQUAC and NRTL models were estimated using the solubility data generated for pyrene in single, binary and ternary solvent systems. By re-adjusting the interaction parameters reported for Dortmund UNIFAC and ASOG models, a better representation of the solubility of pyrene was obtained compared to using reported values. Furthermore, a correction term is introduced for the ASOG model in this study to better improve pyrene solubility prediction in simple and mixed solvent systems. These estimated or re-adjusted interaction parameters for the different models, along with the reported parameters for Dortmund UNIFAC and ASOG models, were tested on complex solvent systems (quaternary and pentinary solvent mixtures), in order to check their validity and accuracy for such predictions.