| QUANTUM CHEMISTRY STUDIES ON THE STRENGTH PERFORMANCE OF ETTRINGITE |
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| 引用本文： | 程新,冯修吉. QUANTUM CHEMISTRY STUDIES ON THE STRENGTH PERFORMANCE OF ETTRINGITE[J]. 武汉理工大学学报(材料科学英文版), 1996, 0(1) |
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| 作者姓名： | 程新 冯修吉 |
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| 作者单位： | Cheng Xin Department of Materials Science and Engineering，Shandong Building Materials Institute，Jinan，Shandong 250022，P.R.ChinaFeng Xiuji Department of Materials Engineering，Whan University of Technology，Wuhan 430070，P. R. China |
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| 摘 要： | Ettringite is a main hydrate of cement,and theSr-bearing ettringite is a main hydrate of Sr-bearing calciumsuplhoaluminate.In this paper the two hydrates are studiedby a quantum chemistry method,the self-consistent-field dis-crete variation X_α.method (SCC-DV-X_α).The results show:their bond order of Al and covalent bond order of Al-O bondare alike;that the bond order of Sr and the covalent bond or-der of Sr-O in Sr-bearing ettringite are higher than these ofettringite is the main reason,that the strength of Sr-bearingettringite is higher than that of ettringite.
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QUANTUM CHEMISTRY STUDIES ON THE STRENGTH PERFORMANCE OF ETTRINGITE |
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| Cheng Xin. QUANTUM CHEMISTRY STUDIES ON THE STRENGTH PERFORMANCE OF ETTRINGITE[J]. Journal of Wuhan University of Technology. Materials Science Edition, 1996, 0(1) |
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| Authors: | Cheng Xin |
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| Affiliation: | Cheng Xin Department of Materials Science and Engineering,Shandong Building Materials Institute,Jinan,Shandong 250022,P.R.ChinaFeng Xiuji Department of Materials Engineering,Whan University of Technology,Wuhan 430070,P. R. China |
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| Abstract: | Ettringite is a main hydrate of cement, and the Si-bearing ettringite is a main hydrate of Si-bearing calcium suplhoaluminate. In this paper the two hydrates are studied by a quantum chemistry method, the self-consistent-field discrete variation Xa method (SCC-DV-Xa).The results show: their bond order of Al and covalent bond order of Al-O bond are alike; that the bond order of Sr and the covalent bond order of Sr-O in Si-bearing ettringite are higher than these of ettringite is the main reason, that the strength of Si-bearing ettringite is higher than that of ettringite. |
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| Keywords: | Ettringite Quantum chemistry Hydrat-ed strength |
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