Weijie Zhao , Hanjie Guo , Xuemin Yang , Zhigang Dan
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引用次数: 5
摘要
基于离子与分子共存理论,建立了计算三元强电解质水溶液中组分质量作用浓度的通用热力学模型,并在298.15 K NaCl-KCl-H2O三元体系中进行了验证。为了比较二元和三元强电解质水溶液热力学模型的差异,还计算了298.15K时NaCl-H2O二元强电解质水溶液中各组分的质量作用浓度。需要一个转换系数来比较计算的质量作用浓度和报告的活度,因为它们是在不同的标准状态和浓度单位下获得的。结果表明,计算出的质量作用浓度与报道的相同组分的活性之间的转换系数变化范围很窄。计算得到的NaCl-H2O和NaCl-KCl-H2O体系中各组分的质量作用浓度与报道的活性值吻合较好。这表明所建立的热力学模型能较好地反映溶液的结构特征,质量作用浓度也严格遵循质量作用定律。
Universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution and its application in the NaCl-KCl-H2O system
A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory, and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions, the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions, and the mass action concentration also strictly follows the mass action law.