首页> 外文期刊>Journal of Chemical and Engineering Data: the ACS Journal for Data >Modeling Solution Phase Behavior in Multicomponent Ion Exchange Equilibria Involving H~+,Na~+,K~+,Mg~(2+),and Ca~(2+) Ions
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Modeling Solution Phase Behavior in Multicomponent Ion Exchange Equilibria Involving H~+,Na~+,K~+,Mg~(2+),and Ca~(2+) Ions

机译:涉及H〜+,Na〜+,K〜+,Mg〜(2+)和Ca〜(2+)离子的多组分离子交换平衡中溶液相行为的建模

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Eight different ion exchange equilibrium models are tested to determine which gives the most accurate predictions of equilibrium behavior for multicomponent ion exchange.The eight models differ only in the way in which they account for solution phase phenomena.Nonidealities in the exchanger phase are accounted for by applying the Wilson model.The solution phase models considered include a model that assumes ideal solution behavior and others that apply the extended Debye-Huckel equation,the Meissner and Kusik electrolyte solution theory,and the Pitzer electrolyte solution theory.Each of these methods for accounting for solution phase nonidealities are applied twice,once assuming incomplete ion dissociation and once assuming that ion dissociation was complete.The models are tested using an extensive set of equilibrium data for the 10 binary,10 ternary,5 quaternary,and 1 quinternary systems involving exchange of the five H~+,Na~+,K~+,Mg~(2+),and Ca~(2+) cations on a commercial resin.The results show that for nearly all of the systems studied the greatest single improvement in the accuracy of the model predictions is achieved when incomplete dissociation of the ions is considered even if neither the extended Debye- Hiickel equation nor the models of Meissner and Kusik or Pitzer are applied to the solution phase.The application of Pitzer's theory yields significantly superior results to those of Meissner and Kusik and the other models.
机译:测试了八个不同的离子交换平衡模型,以确定哪种模型可以最准确地预测多组分离子交换的平衡行为。八个模型的区别仅在于解决溶液相现象的方式不同。考虑的溶液相模型包括假设理想溶液行为的模型以及应用扩展的Debye-Huckel方程,Meissner和Kusik电解质溶液理论以及Pitzer电解质溶液理论的模型。对于溶液相,非理想性应用了两次,一次是假设离子解离不完全,一次是假设离子解离完成。使用大量平衡数据,对涉及交换的10个二元,10个三元,5个四元和1个五元体系进行了模型测试。商业树脂上的五个H〜+,Na〜+,K〜+,Mg〜(2+)和Ca〜(2+)阳离子。结果表明,几乎所有研究的系统,即使不考虑扩展的Debye-Hiickel方程或Meissner和Kusik或Pitzer的模型,只要考虑到离子的不完全解离,都可以最大程度地提高模型预测的准确性。皮策理论的应用产生了明显优于迈斯纳和库西克以及其他模型的结果。

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