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Structure and Properties of Hydrotalcite Using Electrostatic Potential Energy Model
Zhe-ming Ni*,Guo-xiang Pan,Li-geng Wang,Wei-hua Yu,Cai-ping Fang,Dan Li
Author NameAffiliationE-mail
Zhe-ming Ni* College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032, China jchx@zjut.edu.cn 
Guo-xiang Pan College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032, China  
Li-geng Wang College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032, China  
Wei-hua Yu College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032, China  
Cai-ping Fang College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032, China  
Dan Li College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032, China  
Abstract:
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 Al3+/(Mg2+ +Al3+). 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.
Key words:  Hydrotalcite, Electrostatic potential energy model, Thermal stability, Ion exchange
FundProject:
静电势能模型对类水滑石结构与性能的理论研究
倪哲明*,潘国祥,王力耕,俞卫华,方彩萍,李丹
摘要:
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.
关键词:  类水滑石, 静电势能模型, 热稳定性, 离子交换
DOI:10.1360/cjcp2006.19(3).277.4
分类号: