M_yO_x-SiO₂型硅酸盐熔体聚合平衡常数K₁₁的量子化学估算

来源期刊：中南大学学报(自然科学版)1993年第6期

论文作者：尹周澜 高孝恢 刘洪霖

文章页码：831 - 836

关键词：量子化学; 硅酸盐熔体; 聚合平衡常数

Key words：quantum chemistry; silicate melts; polycondensation equilibrium constant

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-SiO₂型二元硅酸盐熔体聚合平衡常数K₁₁的新方法,不仅可以较准确地计算出任意体系的K₁₁,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。

Abstract: Our previous work with quantum chemical calculations on the relative strength of Si-O^brbond 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 K₁₁ in M_yO_x-SiO₂binary silicate melts in stages so that K₁₁ of any M_yO_x-SiO₂ system can be estimated with clear physical significance. This would be of certain help in the studying of silicate materials, geochemistry and pyrometallurgy.