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。     

Gd—Ni二元相图计算

采用ＣＡＬＰＨＡＤ技术优化计算了Ｇｄ－Ｎｉ二元相图，液相用Ｒｅｄｉｃｈ－ｋｉｓｔｅｒ多项式次规则溶液模型描述，端际固溶体β－Ｇｄ，α－Ｇｄ，α－Ｎｉ分别处理为纯组元ｂｃｃ，Ｇｄ，ｈｃｐ Ｇｄ，ｆｃｃ Ｎｉ。采用热力学评估了如下９个定比化合物，Ｇｄ３Ｎｉ（１００６．３９Ｋ，包晶分解），Ｇｄ３Ｎｉ２（９４１．０７Ｋ，包晶分解），ＧｄＮｉ（１５５３．１５Ｋ，同成分熔化），ＧｄＮｉ２（１２８０．１０Ｋ，ｑ     

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。     

几种有机锑（Ⅲ）化合物与共轭极性化合物的反应

讨论了几种有机锑（Ⅲ）化合物与共轭极性化合物的反应性质，在防湿，防空气的条件下，锑原子上连有亲核原子Ｎ，Ｓ的Ｓｂ（ＮＥｔ２）３，Ｓｂ（ＳＥｔ）３与共轭极性化合物反应，反应机理被推测为１，４加成反应，而连有烃基的有机锑（Ⅲ）化合物ＳｂＰｒ３，ＳｂＰｈ３不与共轭极性化合物反应，丙烯酸胺与Ｓｂ（ＮＥｔ２）３的反应随后处理方法不同，产物也不同，并且ＳｂＰｒ３，Ｓｂ（ＳＰｈ）３能引发甲基丙烯酸甲酯聚合。     

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。     

PBT的DSC表现结晶动力学研究

提出了一种新的表观动力学方法用于表征ＰＢＴ的结晶过程,在这个方法中采用方程ｄＣ／ｄｔ＝Ｋｆ（ｃ）＝ｅ＾（－Ｅ／ＲＴ＋ａ（ｂ－Ｔ）ｆ（ｃ）表征高分子材料的结晶过程,由不同降温速率ＰＢＴ的ＤＳＣ曲线求得ＰＢＴ的结晶动力学方程为ｄＣ／ｄｔ＝ｅ＾（－２５９３７９／Ｔ＋１．３４０３（ｂ－Ｔ）．ｆ（ｃ）由该方程及降温ＤＳＣ曲线可以求得各种温度下结晶动力学曲线。     

金属间化物（Sm_（1－x）Y_x）_2Fe_（17）N_y磁性能的穆斯堡尔谱

本文主要通过穆斯堡尔谱研究金属间化物（Ｓｍ１－ｘＹｘ）２Ｆｅ１７Ｎｙ（ｘ＝０，０．２，０．４，０．６，０．８和１．０；２＜ｙ＜３）中Ｙ原子对Ｓｍ原子的替代效应以及Ｎ原子的占位问题。研究结果表明，氮原子在以上氮化物中不仅占据９ｅ（６ｈ）晶位，还将占据１８ｇ（３ｂ）晶位。由实验结果我们可以得出以下结论：１）当ｘ＞０．５时，晶体结构发生变化；２）（Ｓｍ１－ｘＹｘ）２Ｆｅ１７Ｎｙ化合物各个铁晶位的平均磁超精细场随Ｙ含量的不同而有变化；３）按照穆斯堡尔谱拟合结果，（Ｓｍ１－ｘＹｘ）２Ｆｅ１７Ｎｙ化合物在Ｙ含量ｘ为０～０．８的范围内都呈现易Ｃ轴各向异性。     

合金元素对Cu—P合金高温性能的影响

用Ｇｌｅｅｂｌｅ １５００高温拉伸试验机研究了添加元素Ａｇ，Ｓｂ，Ｓｎ对Ｃｕ－Ｐ合金高温性能的影响。研究结果表，Ａｇ能显著提高Ｃｕ－Ｐ合金在室温下的综合性能，Ｓｂ和Ｓｎ能显著提高Ｃｕ－Ｐ合金在１５０￣２８０℃时的强度，其中的Ｓｎ强化效果最好。但当含Ｓｎ〉５％时，会使Ｃｕ－６．５Ｐ合金的室温脆性增大。     

PBT 的 DSC 表观结晶动力学研究

提出了一种新的表观动学方法用于表征ＰＢＴ的结晶过程,在这个方法中采用方程ｄＣ／ｄｔ＝Ｋｆ（ｃ）＝ｅ＾［－Ｅ／ＲＴ＋ａ（ｂ－Ｔ）］＊ｆ（ｃ）表征高分子材料的结晶过程,由不同降温速率ＰＢＴ的ＤＳＣ曲线求得ＰＢＴ的结晶动力学方程为：ｄＣ／ｄｔ＝ｅ＾［－２５９３７９／Ｔ＋１．３４０３（ｂ－Ｔ）］＊ｆ（ｃ）。由该方程及降温ＤＳＣ曲线可以求得各种温度下结晶动力学曲线。     

Sb2O3—ZnSn（OH）6—ZnNH4PO4阻燃体系的研究

研究了在聚氯乙烯（ＰＶＣ）中，Ｓｂ２Ｏ２－ＺｎＳｎ（ＯＨ）６，Ｓｂ２Ｏ３－ＺｎＮＨ４ＰＯ４，ＺｎＳｎ（ＯＨ）６－ＺｎＮＨ４ＰＯ４二元体系的协同阻燃性能，以及Ｓｂ２Ｏ３－ＺｎＳｎ（ＯＨ）６－ＺｎＮＨ４ＰＯ４三元系的阻燃性能。采用混料回归实验设计，导出了三元系氧指数与阻燃剂含量关系的数学模型，经计算机计算并绘制出了氧指数等值图。该体系中Ｓｂ２Ｏ３－ＺｎＳｎ（ＯＨ）６，Ｓｂ２Ｏ３－ＺｎＮＨ４ＰＯ４复配图     

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.     

Universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution and its application in the NaCl-KCI-H2O system

A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong elec-trolyte aqueous solution has been developed based on the ion and molecule coexistence theory, and verified in the NaCl-KCl-H2Oternary system at 298.15 K, To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions, the mass action concentrations of components in the NaCI-H20 binary strong electrolyte aqueous solution were also com-puted at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activ-ity because they were obtained at different standard states and concentration units. The results show that the transformation coeffi-cients between calculated mass action concentrations and reported activities of the same components change in a very narrow range.The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law.     

Physical Property Model of MnO-SiO_2 System

From the viewpoints of coexistence theory of the slag structure, the investigation on the structural units of MnO-SiO2 system and the chemical reactions between them has been carried out. The relationships between the physical propenies of the slag and the mass action concentrations of its have been set up at certain temperature and slag composition range, which based on the thermodynamic data of the chemtical reactions between the units and the method of linear regression. The calculated data from the model are in good agreement with the measured results. These calculated values are more accurate and systematic than those from other expirical and semi-expirical formulas used at present.     

Universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution and its application in the NaCl-KCl-H2O system

A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory, and verified in the NaCl-KCl-H₂O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions, the mass action concentrations of components in the NaCl-H₂O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H₂O and NaCl-KCl-H₂O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions, and the mass action concentration also strictly follows the mass action law.     

A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO_4-H_2O and NaF-H_2O binary solutions and NaClO_4-NaF-H_2O ternary solution

A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions and NaClO4-NaF-H2O ternary strong electrolyte aqueous solutions was developed based on the ion and molecule coexistence theory (IMCT). A transformation coefficient was needed to compare the calculated mass action concentration and the reported activity, because they were usually obtained at different standard states and concentration units. The results show that tran...     

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.     

Calculating models of mass action concentrations for NaBr（aq）, LiNO3（aq）, HNO3（aq）, and KF（aq） binary solutions

The calculating models of mass action concentrations for electrolyte aqueous solutions NaBr-H2O, LiNO3-H2O, HNO3-H2O, and KF-H2O have been developed at 298.15 K and their molalities ranging from 0.1 mol/kg to saturation according to the ion and molecule coexistence theory as well as mass action law. The calculated mass action concentration is based on pure species as the standard state and the mole fraction as the concentration unit, and the reported activities are usually based on infinite dilution as the standard state and molality as the concentration unit. Hence, the calculated mass action concentration must be transformed to the same standard state and concentration unit. The transformation coefficients between calculated mass action concentrations and reported ac- tivities of the same component fluctuate in a very narrow range. Thus, the transformed mass action concentrations not only agree well with reported activities, but also strictly obey mass action law. The calculated results show that the new developed models can embody the intrinsic structure of investigated four electrolyte aqueous solutions. The results also indicate that mass action law has its wide- spread applicability to electrolyte binary aqueous solutions.     

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.     

延边地区茵陈蒿叶中微量元素的研究

为考察延边地区茵陈蒿叶中微量元素的分布状况,采用电感耦合等离子体质谱(ICP-MS)法测定了25个采样点茵陈蒿叶中Cr、Fe、Cu、Zn、As、Se、Cd、Sb、Pb元素的含量.结果表明:在各采样点都检测出Cr、Fe、Zn、Cd,而Cu、As、Se、Sb、Pb在有的采样点处未能检测到,且各元素的含量差异较大(Fe和Zn的含量较高),这可能与采样点的气候、地质、水质、土壤、植物群落等因素有关.     

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.