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采用晶体学理论建立类水滑石静电势能模型,对由20层且每层2107个阴离子组成的镁铝类水滑石超分子体系中层间阴离子所受的静电势能进行理论计算.研究结果表明,调变层板金属离子摩尔比影响层板电荷密度与层间阴离子间距,计算得到的阴离子静电势能值与其热稳定性相一致:插层阴离子的电荷与尺寸不同直接影响阴离子的势能大小.
Based on the theory of crystallography, the electrostatic potential energy model of hydrotalcite-like hydrotalcite was established. The electrostatic potential energy of interlayer anions in Mg-Al hydrotalcite supramolecular system composed of 20 layers and 2107 anions per layer was theoretically calculated. The results show that the molar ratio of metal ions in the modified layer affects the charge density of the plate and the distance between the layers. The calculated electrostatic potential of the anion is consistent with its thermal stability. The charge and size of the intercalated anion directly affect the potential energy of the anion size.