甲醇-丙酸-水多元系汽液平衡研究

用泵式沸点仪测定了在101.325 kPa下甲醇-水、丙酸-水、甲醇-丙酸三个二元系以及甲醇-丙酸-水三元系在不同液相组成时的沸点,并用间接法Tpx推算了甲醇-水、丙酸-水、甲醇-丙酸三个二元系的汽相平衡组成y.三个二元体系活度系数的关联分别用W ilson模型、M argu les模型、Van Laar模型和NRTL模型进行关联,用最小二乘法求出了它们的液相活度系数模型参数.在甲醇-水、丙酸-水、甲醇-丙酸三个二元系基础上计算三元系,用W ilson模型对所测的三元系数据进行关联,建立该系统汽液平衡的热力学模型并计算平衡时的汽相组成y.用面积积分法检验得到很好的热力学一致性.     

Phase Equilibria in Ni Rich Region of Ni-Al-Fe System

The phase equilibria between γ, α, γ' and β in the Ni-rich region of the Ni-Al-Fe system were investigated by the diffusion couple method and thermodynamic models. The thermodynamic parameters were assessed based on experimental results and thermodynamic data. Moreover, the system's phase equilibria from 900 to 1 300℃ were calculated with regular solution and sublattice models, and it is shown that the theoretic results agree well with experimental phase diagram data.     

甲基二氯硅烷-二甲基二氯硅烷-苯体系等压汽液平衡

卤代硅烷的相平衡数据为硅烷生产所需,而这方面的研究又较缺乏,尤其是甲基乙烯基二氯硅烷生产中所需的汽液相平衡数据尚未见报道.本文用新型泵式沸点仪测定了常压（101.325 kPa ）下甲基二氯硅烷＋二甲基二氯硅烷＋苯三元体系和三个二元体系在不同液相组成时的泡点.由所测的二元系数据,用过量自由焓Q函数间接法推算了与之平衡的汽相组成,获得的汽液相平衡数据（VLE）符合热力学一致性;用最小二乘法求出二元体系的Wilson、NRTL、Margules、van Laar方程最佳配偶液相活度系数模型参数,所得的最佳配偶液相活度系数模型参数较好地满足于系统;将所得的最佳Wilson模型参数直接用于该体系三元系汽液相平衡数据的预测,将计算的泡点与实验测得的泡点作了比较,其拟合精度良好,关联结果令人满意;给出了苯溶液中甲基二氯硅烷对二甲基二氯硅烷的相对分离因子.硅烷二元系、多元系的热力学模型及VLE数据可为该体系的分离设计提供必要的理论依据.     

Thermodynamic reassessment of Ga-Hg and Mg-Hg systems

The Ga-Hg binary system was thermodynamically assessed by the CALPHAD method, but only configuration contributions were considered to the entropy of the liquid. The Mg-Hg binary system has not been assessed yet. In the assessments of the Ga-Hg and Mg-Hg binary systems, solutions including liquid and hcp (Mg) were treated as substitution solutions, of which the excess Gibbs energies were formulated with the Relich-Kister polynomial. The intermetallic phases in the Mg-Hg binary system, Mg₃Hg, Mg₅Hg₂, Mg₂Hg, Mg₅Hg₃, MgHg, and MgHg₂, were described as stoichiometric compounds. Based on the reported experimental data and thermodynamic properties of the phase diagram, sets of self-consistent parameters describing all phases in the Ga-Hg and the Mg-Hg binary systems were obtained.     

二甲胺-三甲胺-水三元系的汽液平衡研究

用泵式沸点仪测定了常压下二甲胺-三甲胺-水三元系在不同液相组成时的沸点，并用间接法TPx推算了二甲胺-水，三甲胺-水的汽相平衡组成y，用最小二乘法求出了此二元体系的液相活度系数模型参数，在二甲胺-水，三甲胺-水两个二元系基础上计算三元系，并回归出二甲胺-三甲胺二元系的Wilson参数，用Wilson模型对所测的数据进行关联，建立该系统汽液平衡的热力学模型并计算平衡时的汽相组成。     

三元相图分析乳化柴油稳定性

绘制了柴油、水、助乳化剂与乳化剂的三元相图,利用三元相图中相区面积的变化研究了HLB值(亲水亲油平衡值)、助乳化剂与乳化剂的质量比等参数对乳化柴油稳定性的影响。结果表明,复配乳化剂的HLB值、弱碱添加剂、助乳化剂与乳化剂的质量比对乳化柴油有很大的影响。在碱性环境下,Span80与Tween60复配乳化剂的HLB值为5.8、助乳化剂与乳化剂的质量比为0.3时,其三元相图的乳液面积最大,复配乳化剂的用量最少,此时乳化柴油效果最好。     

Universal thermodynamic model of calculating the mass action concentrations of omponents in a ternary strong electrolyte aqueous solution and its application in the NaCl-KCl-H_2O 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-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 com-puted at 29...     

三元多级逆流萃取设计型计算

由于如Sorenson等所指出的那样,现有的热力学模型不能完全成功地描述液液平衡,本文用一组经验公式处理三元液液平衡数据,应用逐板计算求取三元多级逆流萃取过程各级的流量和组成以及分离所需的理论级数,并在本院VAX机上开发了三元多级逆流萃取设计计算的通用软件.本方法收敛稳定,计算快速,结果准确,适宜在化工计算机辅助设计中应用.     

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.     

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.     

Cluster-based composition rules for ternary alloy systems

The cluster-based composition rule in ternary alloy systems including quasicrystals, bulk metallic glasses, crystalline phases and Lave phases-related body-centered cubic (BCC) solid solution forming systems was summarized. The so-called cluster line in a ternary phase diagram refers to a straight composition line linking a specific binary cluster to the third element. The compo- sition ranges of quasicrystals and bulk metallic glasses can be determined by the direct use of cluster lines, where two cluster lines intersect at the optimum phase forming composition. Furthermore, the alloys on the cluster line in Laves phase-related BCC solid solution alloy systems have larger hydrogen storage capacities.     

Cluster-based composition rules for ternary alloy systems

The cluster-based composition rule in ternary alloy systems including quasicrystals, bulk metallic glasses, crystalline phases and Lave phases-related body-centered cubic (BCC) solid solution forming systems was summarized. The so-called cluster line in a ternary phase diagram refers to a straight composition line linking a specific binary cluster to the third element. The composition ranges of quasicrystals and bulk metallic glasses can be determined by the direct use of cluster lines, where two cluster lines intersect at the optimum phase forming composition. Furthermore, the alloys on the cluster line in Laves phase-related BCC solid solution alloy systems have larger hydrogen storage capacities.     

Computer recognition of slag property diagrams in ternary systems

In order to take data information from the slag property diagram in a ternary system automatically and actually, a picture recognition and drawing software has been developed by Visual Basic 6.0 based on the image coding principle of computer system and the graphics programming method of VB. This software can transform the ternary system isopleth diagram from bitmap format to data file and establish a corresponding database which can be applied to rapidly retrieve a mass of data and make correlative thermodynamics or kinetics calculation. Besides, it still has the function of drawing the ternary system diagram which can draw different kinds of property parameters in the same diagram.     

Determination of isothermal section of Ni-Re-Hf ternary system at 1 173 K

1　ＩＮＴＲＯＤＵＣＴＩＯＮＴｈｅｎｉｃｋｅｌ ｂａｓｅｄｓｕｐｅｒａｌｌｏｙｓａｒｅｔｈｅｍｏｓｔｗｉｄｅｌｙｕｓｅｄｈｉｇｈ ｔｅｍｐｅｒａｔｕｒｅｓｔｒｕｃｔｕｒａｌｍａｔｅｒｉａｌｓｆｏｒｍａｎｕｆａｃｔｕｒｉｎｇａｅｒｏｎａｕｔｉｃａｌｅｎｇｉｎｅ     

三元四元简单水盐体系相图的自动分析及绘制

通过分析水盐体系中自由度及相图中点与线的关系,研究了能够自动分析相图中点与线的算法.此算法能利用相图数据点上的液相离子组成和平衡固相分析出点的类型及点之间的连线关系.并基于此算法开发了相图绘制程序,此程序能够自动分析并绘制三元和四元简单体系的等温相图.     

用自动平衡记录仪对Sn—Cd二元系相图的研究

利用自动平衡记录装置对未知的Ｓｎ－Ｃｄ二元系进行热分析（ＴＡ），结果表明，该二组分系统的步冷曲线上有一个转折和两个平台，从而确定了该系统的相图类型，并根据塔曼三角形法确定了低共熔混合物的组成．     

乙醇-乙酸乙酯-二甲基亚砜多元系汽液平衡的热力学性质

用新型泵式沸点仪测定了101.325 kPa下乙醇-二甲基亚砜、乙酸乙酯-二甲基亚砜2个二元系以及乙醇-乙酸乙酯-二甲基亚砜三元系在不同液相组成时的沸点,并用间接法由Tpx推算了2个二元系的汽相平衡气相组成y。2个二元体系活度系数分别用Wilson、NRTL、Margules和van Laar模型进行关联,用最小二乘法求出了它们的液相活度系数模型参数,所得的液相活度系数来计算2个二元体系的过量吉布斯自由能函数GE/RT。同时,用这些模型参数来计算它们的汽相组成y,并由2个二元系与1个三元系回归出乙醇-乙酸乙酯二元共沸体系的Wilson模型参数。用3个二元系Wilson模型参数对所测的三元系数据进行关联,建立该系统汽液平衡的热力学模型并计算平衡时的汽相组成y和泡点温度。由面积积分法检验这些模型参数计算的乙醇-二甲基亚砜、乙酸乙酯-二甲基亚砜2个二元系相平衡数据,得到很好的热力学一致性。     

Influence of residual stress on the phase equilibrium of Ti(C_xN_y) thin films

In order to provide a theoretic basis for the research of Ti(CxNy) thin films, the thermodynamic database of Ti-C-N ternary system is established and the phase diagram sections are calculated. In addition to the assessed thermodynamic properties of Ti-C-N system, the influence of the residual strain energy of Ti(CxNy) thin films on the phase equilibria is analyzed. The classical formula for calculating the elastic strain energy is expressed into a Redlich-Kister form in order to perform the thermodynamic and equilibrium calculations using the Thermo-Calc software. Isothermal sections at 900 and 1100 K are calculated with this database and compared with those calculated without considering the residual stress. As a result, with the addition of strain energy δ-fcc Ti(CxNy) phase area shrinks. It is therefore concluded that with the influence of the residual stress in Ti(CxNy) thin solid film, the precipitation of pure 5 film requires more precise control of composition.     

甲醇-四氟丙醇汽液相平衡研究

利用汽液相平衡仪测定了甲醇-四氟丙醇二元体系在常压下的汽液平衡数据,并采用Herington半经验法对所得数据进行了热力学一致性检验,采用Wilson模型和NRTL模型进行了关联计算。研究结果表明:试验测定的甲醇-四氟丙醇体系汽液相平衡数据符合热力学一致性要求;经关联计算,得到甲醇-四氟丙醇二元体系在Wilson模型中的交互作用能量参数(λ12-λ11)/R为-223.99 K,(λ21-λ22)/R为174.12 K;该体系在NRTL模型中的交互作用能量参数(g12-g11)/R为478.41 K,(g21-g22)/R为-624.15 K。     

Thermodynamic assessment of Au-Zr system

1　INTRODUCTIONChemicalvapordeposition (CVD)diamondholdsgreatpromiseinsolvingthermalmanagementprobleminhigh performancemulti chipmodules (MCMs) .However ,thismaterialdoespresentsometechnologi calchallenges ,onebeingthedevelopmentofreliablemetallizationsystems[1] .Thedesirablecharacteristicsofametallizationsystemare goodadhesiontothesubstrate ,lowstress ,goodelectricalconductivityandminimalreactionsatsubsequentprocessingtempera tures (upto 4 0 0℃ ) [2 ] .Goldisusuallychosenasthemetalfor…