2025/06/03 by Xiangyu Sun, Dongmei Zhang, Yixiao Yang +4
Materials Science · Chemical Engineering · Chemistry · #Crystallization and Solubility Studies #Chemical and Physical Properties in Aqueous Solutions #Chemical Thermodynamics and Molecular Structure
paper · doi:10.1021/acs.jced.5c00243
The molar fraction solubility of Nifuratel in 12 monosolvents, including water, methanol, ethanol, isopropanol, acetonitrile, tetrahydrofuran, ethyl acetate, N,N -dimethylformamide, dimethyl sulfoxide, acetic acid, acetone, and dichloromethane, was measured using the gravimetric method from 293.15 to 333.15 K under 101.3 kPa. In all selected solvents, solubility increases with temperature throughout the experimental temperature range. Dimethyl sulfoxide exhibits the highest solubility, with a value 1000 times greater than that of water, which exhibits the lowest solubility. Five thermodynamic models (the modified Apelblat model, Yaws model, λh model, Wilson model, and NRTL model) were selected to correlate the solubility data. All models demonstrate excellent fitting performance, with the empirical models showing particularly superior results. The calculated Hansen Solubility Parameter results suggest that, in most solvents, dispersion forces play a dominant role in the mixing process, except for water, where hydrogen bonding is the primary factor. Additionally, the thermodynamic mixing properties were incorporated into the Wilson model. The calculated results suggest that the mixing process is spontaneous and predominantly entropy-driven.