The Application of SCC-DV-X_a Computational Method of Quantum Chemistry in Cement Chemistry

作     者：王志 

作者机构：Dept. of Materials Sci. and Eng. Jinan University Shandong 250022 China 

出 版 物：《Journal of Wuhan University of Technology(Materials Science)》 (武汉理工大学学报（材料科学英文版）)

年 卷 期：2001年第16卷第3期

页      面：6-11页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：Funded by the Natural Science Fourdation of China(Project 59972018) 

主　　题：quantum chemistry cement calculated results hydratian property 

摘      要：It has been explored why quantum chemistry is applied to the research field of cement chemistry. The fundamental theory of SCC-DV-Xα computational method of quantum chemistry is synopsized. The results obtained by computational quantum chemistry method in recent years of valence-bond structures and hydration activity of some cement clinker minerals, mechanical strength and stabilization, of some hydrates are summarized and evaluated. Finally the prospects of the future application of quantum chemistry to cement chemistry are depicted.