Uncovering the Solubility Behavior of 2,2′-Bis(2-hydroxyethoxy)-1,1′-binaphthalene in Four Binary Solvent Mixtures by Thermodynamic Analysis and Molecular Simulation
2,2′-Bis(2-hydroxyethoxy)-1,1′-binaphthalene (BHB), a key optical polymer precursor, faces purification challenges, while its solubility behavior in binary solvents remains underexplored. In this work, the solubility behavior of BHB Form B was systematically investigated in four binary solvent systems (ethyl acetate + toluene, acetone + n-propanol, methyl acetate + n-butanol, and ethyl formate + i-propanol) across 283.15–323.15 K under ambient pressure. Experimental results showed that solubility increased with the temperature at fixed solvent compositions. Solubility initially increased and subsequently decreased with solvent compositions at constant temperatures, confirming the cosolvency effect. The experimental solubility data were well correlated using the modified Apelblat equation, NRTL model, CNIBS/R–K model, and Apelblat–Jouyban–Acree model, with the CNIBS/R–K model providing the best fitting performance. Solvation free energy further demonstrated that enhanced solute–solvent interactions contribute to the cosolvency effect. These findings provide valuable insight into optimizing crystallization processes in the industrial production of high-purity BHB.
Read more