Measurement and correlation of solubility of thiourea in two solvent mixtures from T = (283.15 to 313.15) K

• Solubility of thiourea in methanol + ethanol and methanol + propanol was studied.
• Experimental and calculated (NIBS/R-K) data are in a good agreement.
• Interaction between solute and solvent are calculated by Molecular simulation.
• Thermodynamic properties of both dissolving and mixing process are calculated.

The solubility data of thiourea in methanol + ethanol mixtures and methanol + n-propanol mixtures were determined from T = (283.15 to 313.15) K by gravimetric method under atmospheric pressure. Effects of solvent composition and temperature on solubility of thiourea were discussed. Molecular simulation results indicate that solubility of thiourea will be influenced by interaction energy and a quantitative conclusion can be drawn from the modeling result. To extend the applicability of the solubility data, experimental solubility data in two kinds of binary solvent mixtures were correlated by the modified Apelblat equation, λ–h equation and (NIBS)/Redlich–Kister model. It was found that all the three models could satisfactorily correlate the experimental data and the (NIBS)/Redlich–Kister model could give better correlation results. Furthermore, thermodynamic properties of dissolving and mixing process of thiourea, including the enthalpy, the Gibbs energy and the entropy, were also calculated and analyzed.