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Thermodynamic Parameters of Solvation of Nonelectrolytes in Aqueous Solutions with Hydrogen Bond Networks

机译:氢键网络在水溶液中非电解质溶剂化的热力学参数

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The contributions from interaction and reorganization to the enthaplies of solvation of polar and nonpolar nonelectrolytes in aqueous solutions of formamide,ethanediol,and 1,2-propanediol,forming 3D-associated structures in the entire composition range,were calculated.The enthalpy terms of the solvation of nonelectrolytes in aqueous solutions of methyl-and dimethylformamide were estimated.The data were compared considering the thermodynamic characteristics of these aqueous systems that we determined previously.It was found that the shape of the concentration dependences of the enthalpies of solvation of nonelectrolytes in all the examined solutions is determined by the reorganization term.The fact that the solvation of nonelectrolytes in water is the most exothermic compared to the aqueous-organic systems under consideration is due to the lowest value of the reorganization term in water,despite the fact that nonelectrolytes interact with water more weakly than with the nonaqueous components.
机译:计算了相互作用和重组对极性酰胺和非极性非电解质在甲酰胺,乙二醇和1,2-丙二醇水溶液中溶剂化的贡献,形成了整个组成范围内的3D缔合结构。估算了甲基和二甲基甲酰胺水溶液中非电解质的溶剂化程度,考虑到我们先前确定的这些水溶液体系的热力学特性,对数据进行了比较,发现在所有溶液中非电解质溶剂化焓的浓度依赖性与所考虑的水有机体系相比,水中非电解质的溶剂化是放热最大的事实,这是因为水中非电解质的溶剂化程度最低,这是因为与水的相互作用比与非水成分的相互作用更弱阵营。

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