Calculation of Thermodynamic Properties from Phase Diagram of the Pb-Zn System

The formulas for obtaining the interaction parameters of the liquid solution were first deduced from the immiscible phase diagram of binary system. Then. the relationships between activity coefficients and interaction parameters of the binary system were also deduced. Finally, thermodynamic properties of the Pb-Zn system were calculated by using these formulas.     

Estimation of Thermodynamic Properties from Binary Phase Diagram

The general relationship between binary phase diagrams and the thermodynamic properties was system-atically derived without any assumption.A procedure was presented to estimate the thermodynamic proper-ties from the binary phase diagrams.     

Calculation of Interaction Parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model

1. IntroductionBeside the information of phase transition andphase structure in Hanson'S model of phase diagram,that of metastable phase and thermodynamics of systems should be involved in the document of theirphase diagrams, and the phase boundaries should benumerical. In the previous paper[1] 1 by using the subregular solution model the calculation of activity coefficieflt from a binary alloy phase diagram involvingtwo coexisting phases has been introduced. The purpose of this paper is devo…     

Au-Pt-Sn体系相图及相关热力学参数的研究进展

较为系统地介绍了Au-Pt-Sn系中二元及三元合金的相图及相关热力学参数的研究进展,包括相图分析、合金相结构以及生成焓、结合能、吉布斯自由能等热力学参数,同时介绍了该系合金体系在钎焊和化学催化产业中的应用,并提出了扩大该系合金应用值得重视的一些问题。     

A Fundamental Equation for Calculation of the Thermodynamic Properties of Ethanol

A formulation for the thermodynamic properties of ethanol (C₂H₅OH) in the liquid, vapor, and saturation states is presented. The formulation is valid for single-phase and saturation states from 250 to 650K at pressures up to 280MPa. The formulation includes a fundamental equation and ancillary functions for the estimation of saturation properties. The experimental data used to determine the fundamental equation include pressure-density-temperature, ideal gas heat capacity, speed of sound, and vapor pressure. Saturation values computed from the ancillary functions were used to ensure thermodynamic consistency at the vapor-liquid phase boundary. Comparisons between experimental data and values computed using the fundamental equation are given to verify the uncertainties in the calculated properties. The formulation presented may be used to compute densities to within ±0.2%, heat capacities to within ±3%, and speed of sound to within ±1%. Saturation values of the vapor pressure and saturation densities are represented to within ±0.5%, except near the critical point.     

C-H-Cl气相体系生长金刚石的相图计算

用非平衡热力学耦合模型计算得到了C-H-Cl气相体系生长金刚石的相图,并与报道的实验结果符合很好．比起C-H体系生长金刚石的相图,该相图中的金刚石生长区明显移向低温方向,说明加入氯有利于降低金刚石的生长温度．通过化学反应机理的分析探讨了加入氯对金刚石生长温度和生长速率的影响．     

Au-Pt-Sn体系热力学参数及相图研究现状与展望

较为系统地介绍了Au-Pt-Sn系中二元及三元合金的相图及相关热力学参数研究进展,包括相图分析、合金相结构以及生成焓、结合能、吉布斯自由能等热力学参数,同时介绍了该系合金体系在钎焊和化学催化产业中的应用,并提出了扩大该系合金应用值得重视的一些问题。     

Calculation of the Thermodynamic Properties of Diatomic Substances Based on the Ornstein-Zernike Equation

The new method of calculation of intermolecular distribution functions is used to calculate various thermodynamic properties of diatomic substances (oxygen, nitrogen, ethane). Good agreement is demonstrated between the calculation and experimental data.     

Pd-Cu-Si体系相图计算与非晶成分设计

Pd-Cu-Si合金体系的非晶形成能力与其相图的最低液相温度密切相关.利用相图计算的基本理论和模型,结合低维到高维的外推公式,计算优化了Pd-Cu-Si合金体系相图的液相投影图,在富Pd区域得到一系列可能的非晶形成能力较强的成分,指导非晶成分设计.     

用状态方程计算多元混合工质的热导率

利用ＰＲ状态方程结合修正的Ｅｎｓｋｏｇ理论计算了氮烃类多元混合工持的热导率。在压力为０．０７２－５．７１５ＭＰａ，温度为１２２．１９０－３３５．５Ｋ范围内，总绝对平均偏差为４．９８％《     

Al-Zn-Mg合金的相图计算及电子结构与力学性能的第一性原理计算

通过热力学计算得到了Al-Zn-Mg合金室温平衡相图,计算结果表明,Al-xZn-yMg(x=5.0％ ～6.5％;y=1.5％ ～3.0％,均为质量分数)合金室温下稳定存在的第二相为MgZn2、Al2Mg3Zn3、Mg32(Al,Zn)49.采用基于密度泛函理论的第一性原理赝势平面波方法,计算研究了三种相的生成焓和结合能.计算结果表明,MgZn2具有较弱的合金化能力及相结构稳定性.根据合金中第二相的含量,筛选出每种第二相含量最多的三个合金成分为Al-6.0Zn-2.9Mg、Al-6.5Zn-1.7Mg和Al-6.5Zn-2.5Mg,构建了Al37 Zn1 Mg2、Al49 Zn2 Mg1和Al34 Zn1 Mg1三个固溶体超胞,计算研究了三者的弹性常数、能带结构和电子态密度等本征特性.计算结果表明:Al49 Zn2 Mg1的强度和塑性最好;Al37 Zn1 Mg2的抗剪切能力和刚度最好;Al49 Zn2 Mg1呈韧性,而Al34 Zn1 Mg1和Al37 Zn1 Mg2均呈脆性.能带结构和电子态密度计算结果表明三者均具有金属键,存在金属导电性,Al37 Zn1 Mg2的共价性强于Al49 Zn2 Mg1和Al34 Zn1 Mg1,Al37 Zn1 Mg2结构最稳定.     

三元系统相图动画制作

三元系统相图教学课件,是以三元系统相图为蓝本,利用Flash、HTML等网络多媒体技术的优势,将复杂的三元相图讲解内容和繁琐的相图判断规则制作成简单实用的网络课件,从而,促使了教学手段的更新和教学方式的转变。     

Noise Reduction in Phase Maps with 2 pi Phase Jumps by Means of the Heat Equation

A new algorithm for filtering noise in phase maps that contain 2pi discontinuities is presented. The algorithm is based on a thermal model that uses the heat equation to perform low-pass filtering. A similar approach is used in image processing for filtering noise, but the edges are generally distorted because of their inherent high frequencies. A solution that consists in redefining the spatial derivatives is proposed here. Simulation results are presented and discussed.     

赝二元系LiF-CaAlF5相图

本文通过差热分析（DTA）和X射线粉末衍射（XRD）方法研究了赝二元系LiF-CaAlF5的相平衡关系．该赝二元系在LiF：CaAlF5=1：1处形成一致融熔化合物LiCaAlF6，其熔点为814℃，并分别在LiF～LiCaAlF6和LiCaAlF6～CaAlF5区域形成两个共晶体系，其共晶温度分别为705℃和781℃．根据体系的相图，采用坩埚下降法生长出氟化物激光晶体Cr3＋：LiCaAlF6．     

制冷系统仿真中的工质热力性质计算程序

制冷系统仿真中必然用到工质热力性质计算程序,本文针对制冷系统中常用到的9种工质进行了热力性质分析,利用VB6.0编写了其计算程序模块,并在实际的制冷仿真系统中得到了应用,最终通过动力实验平台的测试,证实计算程序是合理的.     

Statistical Calculation of the Viscous Properties of Nematic Liquid Crystals by Means of the Kinetic Equation for the Tensor Order Parameter

We carried out statistical calculation, of the viscosity coefficients of nematic liquid crystals. As the starting point of calculation, we used the expression for the tensor of viscous stresses obtained within the framework of the relaxational hydrodynamics of investigated media constructed on the basis of Zubarev's method of nonequilibrium statistical ensembles. The relaxational equation for the tensor order parameter was used to calculate the time correlation functions that determine kinetic coefficients. The results of theoretical calculations were compared with experimental data on the temperature dependence for a number of nematogens.     

制冷系统仿真中的工质热力性质计算程序

制冷系统仿真中必然用到工质热力性质计算程序,本文针对制冷系统中常用到的9种工质进行了热力性质分析,利用VB6.0编写了其计算程序模块,并在实际的制冷仿真系统中得到了应用,最终通过动力实验平台的测试,证实计算程序是合理的.     

Thermodynamic Properties of Alloys and Phase Equilibria in the In–Sb System

New thermodynamic data for the In–Sb system are obtained and compared with calculation results available in the literature. An isothermal vacuum cell and a procedure for electrolyte preparation are described which ensure high measurement accuracy.     

高温工质HFC236ea热物性数学模型及其lgp-h图

高温工质热物性及其完整数学描述是推广应用该类工质的基础,HFC236ea是一种被看好的远期替代CFC11和HCFC123的理想候选工质,也是CFC114较合适的替代品。以试验数据为基础,采用Soave—Redlich—Kwong方程,辩识了HFC236ea的状态方程;基于基团原理,建立了HFC236ea的气体定压比热容模型;由Oausius—Clapegron方程得到了HFC236ea的汽化潜热模型;利用多项式模型,拟合了HFC236ea的粘度、导热系数等迁移性质模型;最后,根据计算结果,绘制了lgp—h图。结果表明,上述模型和图表的精度能够满足HFC236ea在设备研发和制造中的应用要求。     

Study on Cure Behavior of a Model Epoxy System by Means of TTT Diagram

Duetotheirhighstrength,modulusandfracture toughnessaswellasgoodadhesionandthermalre sistance[1],epoxyresinsasmatricesarewidelyused inaeronautics,astronautics,transportation,sports andotherindustry.Standardepoxyresinsareusually basedonDGEBA(diglycidyletherofbisphenolA),whichneedsactivehydrogenorotheractivegroupsto opentwoepoxyrings.Four functionalepoxylike TGMDA(tetraglycidylmethylenedianiline)isoften usedforhigh performanceepoxymatrixcomposites becauseofitsrelativelyhighercross linkingdens…