STUDIES OF QUANTUM CHEMISTRY CALCULATION ON VALENCE-BOND STRUCTURE AND HYDRATION ACTIVTY OF C12A7
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition1998年第2期
论文作者：丁庆军
文章页码：44 - 48
摘 要：<正>The structure,chemical bonds and hydra-tion activity of C12A were studied by SCC-DV-X.methodof computational quantum chemistry.The calculated resultsshow that Ca-O bond will be first broken off when C12Ahydrates,the reactivity of Al（2）O4 tetrahedron,is superiorto that of Al（1）O4tet（?）hedron and the rupture of the-Al-O-Al chain composed of two types of AlO4 tetrahedra un-der the action of water ties in the very weak Al（2）-O（2）bonds.the Al-O bond strength of C12A7 is between C3A andC11A7·CuF2.
丁庆军
摘 要：<正>The structure,chemical bonds and hydra-tion activity of C12A were studied by SCC-DV-X.methodof computational quantum chemistry.The calculated resultsshow that Ca-O bond will be first broken off when C12Ahydrates,the reactivity of Al（2）O4 tetrahedron,is superiorto that of Al（1）O4tet（?）hedron and the rupture of the-Al-O-Al chain composed of two types of AlO4 tetrahedra un-der the action of water ties in the very weak Al（2）-O（2）bonds.the Al-O bond strength of C12A7 is between C3A andC11A7·CuF2.
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