Application of the annexation principle to the thermodynamic property study of ternary metallic melts In-Bi-Cu and In-Sb-Cu

Based on the phase diagrams, measured activities and the annexation principle, calculating models of mass action concentrations for In-Bi-Cu and In-Sb-Cu melts have been formulated. Calculated results not only agree well with practical values, but also obey the mass action law, showing that the deduced model can reflect the structural reality of given melts and that the annexation principle is applicable to these two ternary metallic melts. So long as there is one from three binary systems constituting the ternary melts, in which the activities of one component exhibit positive deviation relative to Raoultian behavior, heterogeous melts inevitably would form, so heterogeneous calculating model should be used to calculate their mass action concentrations. On the contrary, if all the binary melts are homogeneous and their activities exhibit negative deviation with respect to the Raoult's law, then the ternary melts formed from them will certainly be homogeneous,hence single phase model should be applied.     

Application of annexation principle to the study of thermodynamic properties of Ag-Bi-In metallic melts

Based on the measured activities, the phase diagrams and the annexation principle, the calculating models of mass action concentrations for Ag-Bi and Ag-Bi-In melts have been formulated. The calculated results agree with practice and obey the mass action law, showing that the models formulated can reflect the structural characteristics of both melts. Meanwhile, it confirms that annexation principle is applicable to the Ag-Bi-In metallic melts. The melts involving eulectic which give rise to phase separation, and in which activities exhibit positive deviation from Raoult's law is the basic cause of melts transforming from homogeneous to heterogeneous ones.     

Applicability of mass action law to sulphur distribution between slag melts and liquid iron

According to the mass action law and the coexistence theory of slag structure, the calculating models of mass action concentration for CaO-MgO-FeO-Fe₂O₃-SiO₂,CaO-MgO-MnO-FeO-Fe₂O₃-P₂O₅-SiO₂ and CaO-MgO-MnO-FeO-Fe₂O₃-Al₂O₃-P₂O₅-SiO₂ slag melts are formulated and sulphur distribution between the slag melts and liquid iron is treated. It is found that CaO, MnO and FeO promote desulphurization, while MgO is detrimental to desulphurization. In addition, the sulphur distribution coefficients between the slag melts and liquid iron are presented.     

Fe－C－O三元金属熔体作用浓度计算模型

根据含化合物的金属熔体结构的共存理论，推导了Ｆｅ－Ｃ－Ｏ金属熔体作用浓度计算模型。计算的Ｎｏ′与相应的实测αｏ相符合，从而证明所得模型可以反映Ｆｅ－Ｃ－Ｏ金属熔体的结构本质。     

基于原子和分子共存理论的Al--Ti熔体反应能力表征

基于原子和分子共存理论建立计算Al- Ti二元合金系结构单元质量作用浓度的热力学模型。利用文献报道的2073、2173和2273 K下Al-Ti二元系的活度计算了生成Al3 Ti、AlTi和Al11 Ti5反应的平衡常数,并进一步得到其标准摩尔吉布斯自由能的表达式。使用文献报道的不同温度下Al-Ti二元合金系全浓度范围内组元Al和Ti的活度aAl和aTi与原子和分子共存理论定义的质量作用浓度NAl和NTi进行比较。结果表明：在Al-Ti二元合金熔体全浓度范围内计算得到的质量作用浓度NAl和NTi与文献报道的活度符合很好。同时,计算得到的Al-Ti二元合金系中结构单元Al3 Ti和Al11 Ti5的平衡物质的量与其质量作用浓度的关系呈“棒状”,而结构单元AlTi的平衡物质的量与其质量作用浓度的关系呈“纺锤”形。     

二元相图中稳定化合物活度的计算方法

基于二元相图中存在大量稳定的化合物的理论基础.据此,提出了一种由含稳定化合物的二元相图中化合物计算活度的新方法.根据已有的从二元相图提取活度的公式,先求出2个组元的活度,再由质量作用定律求出平衡常数K0,从而可由得到的2个纯组元的活度,计算得到稳定化合物的活度.用此方法计算了In-Sb二元系中稳定化合物的活度,经验证此方法是可行的,其计算结果与文献值吻合很好.     

极小作用原理在二阶Hamilton系统中的应用

综述了用极小作用原理得到的关于二阶Ｈａｍｉｌｔｏｎ系统周期解存在性的有关结果。     

用系统科学原理改进地理课堂教学初探

运用系统科学原理论述了整体原理、有序原理、反馈原理在认识、掌握地理概念和在地理课教学中的应用 ,提出了改进地理课教学的方法     

CaO－Al_2O_3－SiO_2熔渣的作用浓度计算模型

根据相图和炉渣结构的共存理论，推导了ＣａＯ－Ａｌ２Ｏ３－ＳｉＯ２渣系作用浓度的计算模型，计算的ＮＣａＯ和ＮＳｉＯ２与相应的实测αＣａＯ和αＳｉＯ２基本符合，从而证明所得模型可以反映本渣系的结构本质。与此同时，还发现生成正硅酸盐（２ＣａＯ·ＳｉＯ２）的碱度因Ａｌ２Ｏ３的增加而变大的事实和本渣系有∑ｎ较小的活跃部分。     

ZnO的相变和热力学性质的第一性原理研究

利用基于密度泛函理论的第一性原理计算方法研究了ZnO的相变和热力学性质.我们发现ZnO由wurtzite结构到NaCl结构的相变压在10.9 GPa左右,和实验值以及其他的理论计算值符合的很好.我们还成功地研究了ZnO 的热力学性质,其中包括ZnO的热容和德拜温度.