论文部分内容阅读
以表征氧化物酸碱度的 L 函数与光学碱度 A 相关,得到了 Lewis 碱度和Lux-Flood 碱度间的良好相关关系,求得 Fe(Ⅱ)、Fe(Ⅲ)、Mn(Ⅱ)等过渡金属氧化物的 A 值.以扩展休克尔(Hückel)分子轨道计算法半定量地分析了光学碱度,得出了与 Duffy 定性模型一致的结论.运用光学碱度并结合 Masson 的硅酸盐离子聚合理论提出了计算多元系炉渣 No~(2-)的经验方法并由此统一地与钢铁冶炼中各种炉型炉渣的分配比相关,获得了较满意的结果.
The correlation between the Lewis basicity and the Lux-Flood alkalinity was obtained by correlating the L function, which characterizes the acidity and basicity of the oxide, with the optical basicity A. The transitions of Fe (Ⅱ), Fe (Ⅲ) and Mn (Ⅱ) A value of metal oxides. The optical alkalinity was analyzed semiquantitatively with extended Hückel molecular orbital calculation, and the conclusion was consistent with Duffy’s qualitative model.Using optical basicity combined with Masson’s silicate ion According to the theory of polymerization, the empirical method for calculating the number of slag No ~ (2-) is proposed and thus the distribution ratio of various furnace slag in the iron and steel smelting is uniformly related. The satisfactory results are obtained.