Solubility of monobenzone in aqueous co-solvent mixtures of several alcohols: determination, modelling and thermodynamic aspects analysis

Publication date: Available online 7 December 2019Source: The Journal of Chemical ThermodynamicsAuthor(s): Yanyan Zhou, Jiaxin Wu, Ali Farajtabar, Jian Wang, Hongkun ZhaoAbstractInvestigation upon the solubility of monobenzone in aqueous co-solvent mixtures of isopropanol, n-propanol, ethylene glycol (EG) and ethanol was performed via a saturation shake-flask technique at temperatures from 283.15 K to 328.15 K under pressure of p=101.2 kPa. Experimental solubility magnitude presented positive dependence upon the mass fraction of each co-solvent and temperature. The greatest solubility value on the mole fraction scale was observed in the neat co-solvents. The equilibrated solids with corresponding co-solvent mixtures were characterized through an X-ray power diffraction (XRD) technique, demonstrating the absence of polymorphic transformation or solvate formation. The Jouyban-Acree model was adopted to mathematically describe the monobenzone solubility data. The maximum magnitudes of RAD and RMSD were 3.17×10-2 and 7.64×10-4, respectively. The local mole fractions of isopropanol (n-propanol, EG or ethanol) and water adjacent monobenzone were quantitatively studied by the Inverse Kirkwood–Buff integrals method. The parameters of preferential solvation for the isopropanol (n-propanol, EG or ethanol) were positive in the isopropanol (n-propanol, EG or ethanol) mixtures in intermediate and alcohol-rich compositions, indicating that monobenzone was preferentially solvated b...

Source: The Journal of Chemical Thermodynamics - December 7, 2019 Category: Chemistry Source Type: research