| M_yO_x-SiO_2型硅酸盐熔体聚合平衡常数K_(11)的量子化学估算 |
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| 引用本文： | 尹周澜,高孝恢,刘洪霖.M_yO_x-SiO_2型硅酸盐熔体聚合平衡常数K_(11)的量子化学估算[J].中南大学学报(自然科学版),1993(6). |
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| 作者姓名： | 尹周澜 高孝恢 刘洪霖 |
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| 作者单位： | 中南工业大学化学系，中南工业大学化学系，中国科学院上海冶金研究所 长沙，410083，长沙，410083 |
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| 摘 要： | 在我们对硅酸盐中Si-O~(br)键、Si-O~(ter)键强度及金属离子对Si—O键影响的量子化学研究基础上,提出一个分段估算M_yO_x-SiO_2型二元硅酸盐熔体聚合平衡常数K_(11)的新方法,不仅可以较准确地计算出任意体系的K_(11),而且物理意义较明确,结果将对硅酸盐材料、地球化学、火法冶金等领域的研究有一定意义。
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| 关 键 词： | 量子化学 硅酸盐熔体 聚合平衡常数 |
THE EVALUATION OF POLYCONDENSATION EQUILIBRIUM CONSTANT K_(11) IN M_yO_x-SiO_2 BINARY SILICATE MELTS WITH QUANTUM CHEMICAL METHOD |
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| Yin Zhoulan,Gao Xiaohui,Liu Honglin.THE EVALUATION OF POLYCONDENSATION EQUILIBRIUM CONSTANT K_(11) IN M_yO_x-SiO_2 BINARY SILICATE MELTS WITH QUANTUM CHEMICAL METHOD[J].Journal of Central South University:Science and Technology,1993(6). |
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| Authors: | Yin Zhoulan Gao Xiaohui Liu Honglin |
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| Institution: | Yin Zhoulan,Gao Xiaohui,Liu Honglin Department of Chemistry,Central South University of Technology,Changsha,410083,China Shanghai Institute of Metallurgy,Academia Sinica,Shanghai |
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| Abstract: | Our previous work with quantum chemical calculations on the relative strength of Si-O~(br)
bond and Si-O~(ter) bond and the effect of metallic cations on Si-O bonds in silicates was used to
develop a new way to evaluate the polycondensation equilibrium constant K_(11) in M_yO_x-SiO_2
binary silicate melts in stages so that K_(11) of any M_yO_x-SiO_2 system can be estimated with
clear physical significance. This would be of certain help in the studying of silicate materials,
geochemistry and pyrometallurgy. |
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| Keywords: | quantum chemistry silicate melts polycondensation equilibrium constant |
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