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《Materials Review》 2009-02
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Bond Network Analysis and Calculation of Valence Electron Structure of Kaolinite

ZHANG Wei1,ZHANG Shouting1,WANG Yanchun1,LIU Weidong2(1 State Key Laboratory of Geological Processes and Mineral Resources;Key Laboratory of Underground Information Detection Technique and Instrument of Ministry of Education,China University of Geosciences,Beijing 100083;2 Department of Materialsand Chemical Engineering,Liaoning Institute of Technology,Jinzhou 121001)  
The valence electron structure and the space distribution of bond of kaolinite are calculated,and the weak links of the whole bond network are pointed out based on the empirical electron theory of solids and molecules(EET).The strongest bond(nA=1.37457) and the second strongest(nB=1.45692) in silicon-oxygen tetrahedron constitute a solid network structure.Relatively speaking,in aluminum-oxygen octahedron the bonds of(nC=0.38433) and(nD=0.39188) are weak.Weaker bonds focus on the octahedron connected to the side of the tetrahedron,causing the bonds weakest between OⅠ and OⅢ layer and easy to break up.
【Fund】: 地质过程与矿产资源国家重点实验室基金;; 国家地质调查局项目(200110200009);; 教育部博士点基金(20010491007);; 教育部科学技术研究重点项目(104037)
【CateGory Index】: O641.1
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