Equilibrium Solubility of Sulfadiazine in (Acetonitrile + Ethanol) Mixtures: Determination, Correlation, Dissolution Thermodynamics, and Preferential Solvation

• Published in: International journal of thermophysics 2024-09, Vol.45 (9), Article 129
• Main Authors: Delgado, Daniel Ricardo, Ortiz, Claudia Patricia, Martínez, Fleming, Jouyban, Abolghasem
• Format: Article
• Language: English
• Subjects: Acetonitrile; Alcohols; Classical Mechanics; Composition; Condensed Matter Physics; Correlation; Dissolution; Enthalpy; Entropy; Ethanol; Gibbs equations; Industrial Chemistry/Chemical Engineering; Mathematical models; Mixtures; Physical Chemistry; Physics; Physics and Astronomy; Prediction models; Predictions; Solubility; Solvation; Thermodynamics
• ISSN: 0195-928X; 1572-9567
• DOI: 10.1007/s10765-024-03405-4

The equilibrium solubility of sulfadiazine (SD, 3) in several {acetonitrile (MeCN) + ethanol (EtOH)} mixtures at nine temperatures from T /K = (278.15 K to 318.15) has been determined by following the shake flask method. SD solubility increased with temperature-arising as well as with the MeCN proportion-increasing in the mixtures. Thus, x 3 increased from 7.74 × 10 −5 in neat EtOH to 6.20 × 10 −4 in neat MeCN at T /K = 298.15. SD solubility was adequately correlated with a second-order multivariate equation as function of both mixtures composition and temperature. Moreover, two models including the Jouyban–Acree and Jouyban–Acree–van’t Hoff models were applied to mathematical SD solubility data modeling in solvent mixtures. The accuracy of each model is investigated by the mean relative deviations (MRD%) of the back-calculated solubility. A full predictive model was provided by training the Jouyban–Acree–van’t Hoff model with only seven experimental solubility data which provided excellent predictions with the MRD% of 3.7 %. All used models show a low MRD% values (