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Correlation between equilibrium and NMR spectroscopic data in the study of the selectivity of cross-linked ionic polymers

机译:交联离子聚合物选择性研究中平衡和NMR光谱数据的相关性

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Ion-exchange equilibrium and ~(31)P NMR measurements were used for the study of the ion-exchange distribution of phosphonic acid anions in various types of ion-exchange materials. An equation was derived for the calculation of ion-exchange selectivity coefficients of the monovalent and bivalent anions from the pH dependence of the measured distribution coefficient of the acid. The equation derived was also used to calculate the hydrogen ion concentration inside the polymer phase. ~(31)P NMR spectra of the equilibrium resin phase were studied as a function of pH. On the basis of the relationship derived for the pH dependence of the observed ~(31)P NMR shift of phosphonic acid the resin phase the chemical shifts of the monovalent and bivalent anions were calculated. The linear relationship observed between the calculated selectivity coefficients and the resin-phase ~(31)P chemical shifts proves that interactions responsible for ion-exchange selectivity (thermodynamic data) and chemical shifts (spectroscopic data) are strongly correlated in the systems studied.
机译:离子交换平衡和〜(31)P NMR测量用于研究各种离子交换材料中膦酸阴离子的离子交换分布。从测得的分布系数的酸的pH依赖性来得出用于计算单价和二价阴离子的离子交换选择性系数的等式。衍生的等式也用于计算聚合物相内的氢离子浓度。 〜(31)根据pH的函数研究平衡树脂相的P NMR光谱。基于所观察到的〜(31)P依赖性的pH依赖性的关系,膦酸的树脂阶段计算了一价和二价阴离子的化学偏移。在计算的选择性系数和树脂相〜(31)P化学变换之间观察到的线性关系证明,负责离子交换选择性(热力学数据)和化学位移(光谱数据)的相互作用在研究的系统中强烈相关。

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