Fe-Si-C合金熔体的活度解析计算

由三元碳饱和合金熔体的碳饱和数据以及其二元子系的精选活度数据作为边界条件，导出了计算三元合金熔体整个液态均相区内务组元活度的解析计算新方法．并用之于Fe－Si－C合金熔体在1873K温度下的活度计算和预测，取得与实验数据吻合较好的结果．     

Fe—Si—C熔体的作用浓度计算模型

根据含化合物金属熔体铁共存理论，相图和Ｆｅ－Ｃ系亚稳态化合物的有关热力学数据制定了Ｆｅ－Ｓｉ－Ｃ熔体的作用浓度计算模型，计算结果符合实际，从而证明所推导的计算模中以反映体熔体的结构实际。     

锰基Mn-Fe-P-C系热力学性质

1400℃碳溶解度平衡实验测得：锰基Mn－Fe－P－C系碳的溶解度计算式为，Nc=0．2719－0．0940NFe－1．1954Np；整个锰铁熔体浓度范围，即从纯锰到纯铁范围，碳的溶解度计算式有，NC=0．2719－0．0945NFe和Nc==0．1959十0．1044NMn，通过热力学的推导和计算，得到以下一些热力学数据：①铁基体系，锰基体系。     

Fe-V(Nb)-C系热力学性质研究

在1450℃实验测得得,Fe－V－C和Fe－Nb－C系中碳的饱和溶解度,其计算式分别是：xc＝0．1980＋0．4152xv和xc＝0．1969＋0.8352xNb.1400～1600℃范围,Fe－C系计算式是：＝－5．0826＋8480×．通过热力学推导与计算,得到如下热力学数据：1）Fe－C系,lnγ°c＝－0．1339＝8.8551,＝0．1498;2）Fe－V－C系,＝－2.0970,＝－5.7737,＝－0.0247;3）Fe－Nb－C系,＝－4.2417.＝－11．6374,＝－0．0257．     

Cd──Sb合金熔体作用浓度计算模型

根据Ｃｄ－Ｓｎ合金相图、电阻率、热容量、偏摩尔熵和粘度，确定该合金熔体的结构单元为Ｃｄ原子，Ｓｂ原子以及Ｃｄ３Ｓｂ２，Ｃｄ４Ｓｂ３和ＣｄＳｂ化合物。基于以上结构单元，并依据含化合物金属熔体的共存理论，推导了Ｃｄ－Ｓｂ合金熔体的作用浓度计算模型。理论计算的Ｎｃｄ，与实测的Ｃｄ的活度值ａ（ｃｄ），完全一致。同时也计算出了以上３种化合物的标准自由能。     

含共晶体二元金属熔体作用浓度的计算模型

根据混合自由能有最小值，过剩自由能有最大值（或最小值），激冷条件下产生化合物状亚稳相及共晶，分层等现象，针对Ｃｄ－Ｂｉ，Ｇｅ－Ａｌ，Ｂｉ－Ｓｎ，Ｃｄ－Ｓｎ，Ａｇ－Ｃｕ，Ａｌ－Ｇａ；Ｓｉ－Ａｇ，Ｐｂ－Ｓｎ和Ａｌ－Ｓｎ金属熔体推导了作用浓度的计算模型，计算结果与实测值符合较好，从而证明所提出的计算模型符合本类熔体的结构特点。     

Fe—Si—C合金熔体的活度解析计算

由三元碳饱和合金熔体的碳饱和数据以及其二元子系的精选活度数据作为边界条件，导出了计算三元合金熔体整个液态均相区内务组元活度的解析计算新方法，并用之于Ｆｅ－Ｓｉ－Ｃ合金熔体在１８７３Ｋ温度下的活度计算和预测，取得与实验数据吻合较好的结果。     

Fe-La-O金属熔体作用浓度计算模型

根据含化合物金属熔体的共存理论,Fe-La相图、Fe-O相图,及相关文献的研究成果,确定了Fe-La-O金属熔体的结构单元,进而推导了各组元作用浓度的计算模型.研究表明,计算的作用浓度与相应的实测活度相符合,从而证明所得模型可以反映Fe-La-O金属熔体的结构本质,同时说明计算过程中引用的La2O3的平衡参数"ΔG°=-75 380+17.60T"是准确的.     

Fe-j-C系热力学性质的研究

碳溶觖度计算式是的Fe－j－C系的热力学敏据,可用以下方法求得．1）j是V,Cr,Mn的Fe－j－C系,用迭代法求得等热力学性质．2）其它Fe－j－C系的用对X线性回归法求得,其中．3）和的计算式分别是：及的计算式分别是：     

热致液晶聚酯酸胺的结构与液晶性的关系

利用Ｓｃｈｏｔｔｅｎ－Ｂａｕｍａｎｎ反应合成了规则链芳－脂族聚酯酰胺系列化合物及相应的模型化合物，着重研究了聚合物的结构与液晶性的关系。结果表明这种结构的聚酯酰胺为结晶性聚合物，熔体呈向列型液晶态；聚合物的熔点主要取决于聚合物的结构，即酯、酰肢健的位置、芳环取代方式和脂肪链的长短。     

Calculating Model of Mass Action Concentrations for Fe-Cr-P Melts and Optimization of Thermodynamic Parameters

According to the results of research on the thermodynamic propelles of Fe-Cr, Fe-P and Cr-P melts, the measured achvihes of Fe-Cr-P melts from reference sources as well as the coexistence theory of metallic melts structure involving compound formation, a calculating model of the mass action concentrations for Fe-Cr-P melts has been formulated and some of its thermodynamic parameters have been optimized. The calculated mass action concentrations agree with the measured achvities, which shows that this model can reflect the structural reality of Fe-Cr-P melts.     

Carbon Solubility and Mass Action Concentrations of Fe-Cr-C Melts

An empirical equation of carbon solubility in Fe-Cr-C melts is regressed based on the experimental data from references. Acalculating model of mass action concentrations for these melts is formulated on the basis of the coexistence theory of metaIlic melts in-volving compound formation, the phase diagram of Cr-C system as well as thermodynamic data of Fe-Cr-C melts. According to the mod-el, the standard Gibbs free energies of formation of CrC and Cr3C2 are obtained. Satisfactory agreement between the calculated and me-asured values shows that the model can reflect the structural characteristics of Fe-Cr-C melts.     

Thermodynamic Properties of Mn-P and Fe-Mn-P Melts

Based on the phase diagrams and the coexistence theory of metallic melts structure involving compound formation, the cal- culating models of mass action concentrations for Mn-P and Fe-Mn-P melts have been formulated. The calculated mass action concen- trations agree well with the corresponding measured activities, this in turn shows that the deduced models can reflect the structural char- acteristics of the melts concerned and there isn't any saturation of phosphorus in both melts.     

Calculating Models of Mass Action Concentrations for Ni-Mn and Co-Mn Melts and Optimization of Their Thermodynamic Parameters

According to phase diagrams, measured activities as well as the coexistence theory of metallic melts structure involving compound formation, the calculating models of mass action concentrations for Ni-Mn and Co-Mn melts are formulated and their thermodynamic parameters are optimized. As a result, the calculated mass action concentrations agree well with the corresponding measured activities, showing that these models can reflect the structural characteristics of both Ni-Mn and Co-Mn melts.     

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.     

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,soheterogeneous 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.     

Calculating Models of Mass Action Concentrations for Fe-P and Cr-P Melts and Optimization of Their Thermodynamic Parameters

Based on the phase diagrams, reliable reference experimental data and the coexistence theory of metallic melts structure involving compound formation, calculating models of mass action concentrations for Fe-P and Cr-P melts have been formulated. At the same time, some of their thermodynamic parameters have been optimized. The calculated results not only agree well with the measuredvalues, but also obey the mass action law rigorously, this in turn shows that these models can reflect the structural characteristics of corresponding melts.     

A Back Look on the Binary Phase Diagrams of Metals from the Mass Action Law and the Coexistence Theory of Metallic Melts

According to the mass action law and the coexistence theory of metallic melts, the mass action concentrations of Cu-Mg, Bi T1 and Ni-Al melts involving compound formation have been calculated. The calculated results show that, except the ultimate case of pure element, when two elements are present in the melts, all structural units (atoms and molecules) without exception will be present in the melts, i.e., their concentrations may change from great to small, but they will not vanish into nothing, and only under such conditions, the calculated results both agree with practice and obey the law of mass action. In view of that over considerable wide composition range, the activities of both elements of the three solid binary alloys mentioned above have been measured, this seems in contradiction with the present relevant phase diagrams, in which the structural units are determined by composition range, so the latter needs further investigation and consideration.     

Thermodynamic properties and mixing thermodynamic parameters of two-phase metallic melts

Based on the calculating model of metallic melts involving eutectic, the calculating equations of mixing thermodynamic parameters for two phase metallic melts have been formulated in the light of those equations of homogeneous solutions. Irrespective as to whether the activity deviation relative to Raoultian behavior is positive or negative, or the deviation is symmetrical or unsymmetrical, the evaluated results not only agree well with experimental values, but also strictly obey the mass action law. This testifies that these equations can authentically reflect the structural reality and mixing thermodynamic characteristics of two-phase metallic melts. The calculating equations of mixing thermodynamic parameters for the model of two phase metallic melts offer two practical criteria (activity and mixing thermodynamic parameters) and one theoretical criterion (the mass action law).     

Mg-Al,Sr-Al和Ba-Al熔体的作用浓度计算模型和热力学参数确定

根据相图、质量作用定律和金属熔体结构的共存理论制定了Mg-Al,Sr-Al和Ba-Al熔体的作用浓度计算模型并求得了相关的热力学参数,计算结果符合实际,证明所制定的模型和确定的热力学参数可以反映相应熔体的结构特点,但将相应文献的热力学参数代入同样熔体则未取得符合实际的结果,原因可能与文献中的热力学参数不符合液态下金属熔体内部化学反应的实际有关。