二次元手游活动社区

本研究对噻苯达唑固溶质与乙腈、甲醇、n 的二元水性混合物形成的体系进行了平衡溶解度测定和模型关联。-丙醇和异丙醇。通过在 101.2 kPa 下使用摇瓶饱和技术在 283.15 到 323.15 K 的温度范围内进行实验。对于给定的二元溶剂混合物，最小摩尔分数溶解度在 283.15 K 时记录在水中；最大的一个，在 323.15 K 的纯有机溶剂中。 产生的平衡溶解度由两个模型令人满意地描述，修正 van't Hoff-Jouyban-Acree 和 Jouyban-Acree，相对平均偏差 (%) 不超过6.08. 根据四个解系统的四次多项式观察到扩展 Hildebrand 溶解度方法（相对平均偏差 < 4.10%）的良好预测结果，以关联相互作用参数 ( W) 和溶剂共混物在没有噻菌灵 ( δ 1+2）。通过线性溶剂化能关系 (LSER) 定量分析分子内和分子间相互作用对噻苯达唑 (298.15 K) 固体溶质溶解度变化的相对贡献。包含溶解度参数和氢键碱度的混合溶剂描述符是确定溶解度变化的主要原因。此外，基于混合溶剂系统的一些可接近的特性，通过逆柯克伍德-布夫积分方法定量研究了噻苯达唑的优先溶剂化。中间和富含助溶剂的混合物中噻苯达唑的正优先溶剂化参数有力地表明噻苯达唑被异丙醇、乙腈、n 的共溶剂优先溶剂化-丙醇、乙醇和甲醇。推测是合理的，在上述组合物中，噻菌灵在与醇分子的相互作用方面主要充当路易斯酸性；而对于乙腈混合物，这种行为是由极化效应造成的。此外，噻菌灵优先被乙醇 (2) 在乙酸乙酯 (1) + 乙醇 (2) 溶液中与富含乙酸乙酯的组合物溶剂化，并被水 (2) 溶剂在与富含水组合物的水性混合物中溶解。

"点击查看英文标题和摘要"

Solubility, solvation thermodynamics and solvent effect of thiabendazole in several cosolvent blends

Equilibrium solubility determination and model correlation were performed in the present research for the systems formed by solid solute of thiabendazole and binary aqueous blends of acetonitrile, methanol, n-propanol and isopropanol. Experiments at temperatures ranging from 283.15 to 323.15 K were conducted by the use of the shake-flask saturation technique at 101.2 kPa. For the given binary solvent blends, the minimum mole fraction solubility was recorded in water at 283.15 K; and the maximum one, in neat organic solvent at 323.15 K. The generated equilibrium solubility was satisfactorily described by two models, modified van’t Hoff-Jouyban–Acree and Jouyban–Acree, with the relative average deviations (%) of no more than 6.08. Good prediction results of extend Hildebrand solubility approach (relative average deviations < 4.10%) were observed in terms of quartic polynomial for the four solution systems to correlate the interaction parameter (W) and solubility parameters of the solvents’ blends in the absence of thiabendazole (δ1+2). Analysis of the relative contributions from intra- and inter-molecular interactions to solubility variation of solid solute of thiabendazole (298.15 K) was quantitatively carried out via the linear solvation energy relationships (LSER). The descriptors of blended solvents comprising solubility parameter and hydrogen-bond basicity were principally responsible for the variation of determined solubility. Besides, the preferential solvation of thiabendazole was quantitatively researched via the inverse Kirkwood–Buff integrals method on the basis of some accessible properties for blended solvent systems. The positive preferential solvation parameters for thiabendazole in the middle and cosolvent-rich blends powerfully suggested that thiabendazole was preferentially solvated by cosolvents of isopropanol, acetonitrile, n-propanol, ethanol and methanol. The conjecture was reasonable that in above compositions, thiabendazole mainly served as Lewis acidic in terms of its interactions with alcohol molecules; while for the acetonitrile mixtures, this behavior was contributed by polarization effect. Besides, thiabendazole was preferentially solvated by ethanol (2) in ethyl acetate (1) + ethanol (2) solutions with ethyl acetate-rich compositions, and by water (2) solvent in aqueous blends with rich water compositions.