Structure and Properties of Hydrotalcite Using Electrostatic Potential Energy Model

hydrotalcites 的静电的势能模型基于晶体学的理论。MgAl-hydrotalcites 的 anionic 势能，与 20 层和 2107 个阴离子每层，是计算，并且 hydrotalcites 的 anionic 稳定性被调查。在邻近的阴离子之间的层和距离的费用密度与艾尔 3+=(Mg2++ 艾尔 3+) 的臼齿的比率变化了。Anionic 势能取决于阴离子的费用和尺寸。计算结果与热稳定性和报导的离子交换能力仍然保持一致。这个模型能预言 hydrotalcites 的 anionic 稳定性。

The electrostatic potential energy model of hydrotalcites was based on the theory of crystallography. The anionic potential energy of MgAl-hydrotalcites, with 20 layers and 2107 anions per layer, was calculated, and the anionic stability of the hydrotalcites was investigated. The charge density of the layer and the distance between the adjacent anions varied with the molar ratio of Al^3＋/（Mg^2＋ ＋ Al^3＋）. Anionic potential energy depended on the charge and size of the anions. Calculation results remained consistent with thermal stability and the ion exchange ability reported. This model is able to predict anionic stability of the hydrotalcites.