基于共存理熔渣组元活度的预测作业.docVIP

攀枝花学院本科毕业设计（论文） 基于共存理论的熔渣组元活度的预测 摘 要 通过深入体会活度等热力学性质在冶金生产中的作用，弄清了共存理论预测熔体中组作用的原理。通过收集有关活度计算用文献，调研计算用原始数据，根据共存理论建立CaO-SiO2、MnO-SiO2、PbO-SiO2、Na2O-SiO2、MgO-SiO2、MnO-TiO2 6组二元熔渣体系中组元作用浓度计算模型，利用计算机软件Matlab编制了模型中关键参数求解方法，在基础基础上预测得到了6组二元熔渣体系中一个组元作用浓度，并对预测结果与实验测定值进行了对比。结果发现，模型计算得到的熔渣体系中组元的作用浓度与实测的活度偏差较小，表明，基于共存理论建立健的模型较为正确。 关键词：共存理论，作用浓度，活度 ABSTRACT I understands the principles to predict role concentration of component in binary slag by studying function of thermodynamic thermodynamics properties such as activity in metallurgical process. After information about the activity calculation in literature are collected and original data for calculation are got, the predicted models were established for the role concentration of one component in six binary slag systems of CaO-SiO2, MnO-SiO2, PbO-SiO2, Na2O-SiO2, MgO-SiO2 and MnO-TiO2 based on coexistence theory. The key parameters in the models were obtained by compute procedure using Matlab software. The role concentration of one component in six binary slag systems of CaO-SiO2, MnO-SiO2, PbO-SiO2, Na2O-SiO2, MgO-SiO2 and MnO-TiO2 are obtained, as are compared with the experimental activities. The results are found that difference between the calculated role concentration by the model and the experimental activities of one component in six binary slag systems are small. It shows that the models are accurate based on coexistence theory. Keywords: Coexistence theory, role concentration, activity, Matlab program 目 录 摘 要 I ABSTRACT II 1 绪言 3 1.1 国内外熔体组元活度预测的研究现状 3 1.2 活度预测的理论及模型 3 1.2.1 分子理论 4 1.2.2 离子理论 4 1.2.3 共存理论 4 1.3本论文研究内容与意义 5 2 基于共存理论的熔渣中组元活度的预测 6 2.1 模型预测熔渣组元的活度原理 6 2.2 CaO-SiO2渣系的结构单元和计算模型 7 2.2.1 CaO-SiO2渣系的性质 7 2.2.2 CaO-SiO2渣系计算模型 7 2.2.3 CaO-SiO2渣系计算结果及结论 9 2.3 MnO-SiO2渣系的结构单元和计算模型 10 2.3.1 MnO-SiO2渣系的性质 10 2.3.2 MnO-SiO2渣系计算模型 11 2.3.3 MnO-SiO2渣系计算结果及结论 11 2.4 PbO-SiO2渣系的结构单元和计算模型 13 2.4.1 PbO-SiO2渣系的性质 13 2.4.2 PbO-SiO2渣系组元活度预测模型建立 13 2.5 Na2O-SiO2渣系的结构单元和计算模型 15 2.5.1 Na2O-SiO2渣