Prediction of anthracene solubility in alcohol + alkane solvent mixtures using binary alcohol + alkane VLE data. Comparison of Kretschmer-Wiebe and mobile order models

Abstract

The abilities of two association models to predict anthracene solubilities in a number of binary alkane + alcohol solvent mixtures are compared. For each alkane + alcohol system, parameters in the Kretschmer-Wiebe and mobile order models were obtained from binary vapor-liquid equilibrium data. These parameters were then used, along with measured solubilities of anthracene in the pure alcohol and pure alkane, to predict solubilities of anthracene in the alkane + alcohol mixtures. To increase the number of systems available for analysis, new solubility data were measured at 298.15 K for anthracene in mixtures of n-heptane with 1-pentanol, 2-pentanol, and 2-methyl-2-butanol and for mixtures of n-hexane with 1-pentanol. New total pressure data at 303.15 K were obtained for n-heptane + 1-butanol and n-heptane + 2-butanol. Combining literature data with those reported here results in twenty binary alkane + alcohol systems for which both VLE data and anthracene solubilities are available. Upon fitting to the VLE data, the Kretschmer-Wiebe and mobile order models were found to represent equilibrium pressures with root mean square deviations of 0.13 and 0.19 kPa, respectively. Solubilities of anthracene in alkane + alcohol mixtures were predicted with average deviations of 2.8% and 4.7%, respectively.