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《Materials Science and Technology》 2006-03
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The relationship of valence electron structure and multiple isomorphous replacement of Montmorillonite

CHEN Kui~(1,2),YANG Rui-cheng~(1,2),FENG Hui-xia~(1,2)(1.State Key Laboratory of Gansu Advanced Non-ferrous Metal Materials,Lanzhou University of Technology,Lanzhou 730050,China2.Key Laboratory of Non-ferrous Metal Alloys,TheMinistry of Education,Lanzhou University of Technology,Lanzhou 730050,China)  
In order to research the relationship of structure and property of montmorillonite,according to the crystal structure of montmorillonite,we designed the cell of montmorillonite structure.The valence electron structure of montmorillonite was calculated by means of "EET"(empirical electron theory of solids and molecules) theory.The solution shows that compared with ideal montmorillonite,binding energy of montmorillonite where 0.66 Al~(3+) is replaced by Mg~(2+) has little change and the difference of covalence electron distributing between tetrahedron and octahedron was diminished.The result also shows that binding forces of three sub-layer of MMT layer are stronger than the Van Der Waals force between layers of montmorillonite,so the distance between layers of montmorillonite can be enlarged when in polar medium while that of three sub-layers is invariable.
【Fund】: 甘肃省自然基金资助项目(ZSO21-A25-028-C)
【CateGory Index】: O641.1
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