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Effects of Temperature and Solvent Properties on the Liquid–Solid Phase Equilibrium of γ‑Pyrazinamide

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journal contribution
posted on 10.06.2020, 14:07 by Shengzhe Jia, Keke Zhang, Xuxing Wan, Zhenguo Gao, Junbo Gong, Sohrab Rohani
The thermodynamic solubility of γ-pyrazinamide in 13 solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, acetonitrile, water, 1,4-dioxane, methyl acetate, ethyl acetate, and n-propyl acetate) was measured by a dynamic method from 278.15 to 318.15 K. The results were modified by four models (λh equation, Apelblat equation, Wilson model, and nonrandom two-liquid (NRTL) model), and all of the relative standard deviation (RSD) values were less than 6%, indicating that the correlated data is in good agreement with the experiments. The thermodynamic parameters of mixing (ΔmixH, ΔmixG, and ΔmixS) were calculated by the NRTL model. Furthermore, the physicochemical properties of different solvents were investigated to visualize the solvent effects. The results indicated that for the ester and alcohol systems, the “like dissolves like” principle and mass transfer rules were the main factors that affect the solubility, and for other solvents, hydrogen bond donor propensities played the key role.