Co－Sm－Cu合金系中包共析转变Sm_2（Co、Cu）_（17）＋Sm（Co、Cu）_5﹦α－Co（Cu、Sm）＋Sm_2（Co、Cu）_7预测

本文以三元系相平衡规律为理论依据．结合文献资料中有关Ｃｏ－Ｓｍ－Ｃｕ系，Ｃｏ—Ｃｕ系和Ｃｏ－Ｓｍ系相图的实验数据，预测在Ｃｏ－Ｓｍ－Ｃｕ系方Ｃｏ区，约低于温度６００℃处．存在一个三元四相包共析转变：Ｓｍ_２（Ｃｏ、Ｃｕ）_１７十Ｓｍ（Ｃｏ、Ｃｕ）５ α—Ｃｏ（Ｃｕ、Ｓｍ）＋Ｓｍ２（Ｃｏ、Ｃｕ）７这个转变可能会导致相应的钴钐永磁材料的硬田性降低．

Measurements of zinc oxide solubility in sodium hydroxide solution from 25 to 100 °C

The solubility of zinc oxide in sodium hydroxide solution was measured in a closed polytetrafluoroethylene vessel from 25 to 100 ℃. The ZnO solubility was determined by employing the method of isothermal solution saturation. The results show that only ZnO solid exists in the equilibrium state in the low concentration alkali regions, and the solubility of zinc oxide is almost invariable with temperature. With the increase of alkali concentration, equilibrium solid turns from ZnO to NaZn（OH）3 suddenly, this mutation is called invariant point. The alkali concentration of the invariant points increases with increasing temperature, but the solubility of NaZn（OH）3 decreases with increasing alkali concentration at the same temperature. At the same Na2O concentration, the higher the temperature is, the higher the solubility of NaZn（OH）3 is.

Recycling of metals from waste Sn-based alloys by vacuum separation

In order to recycle waste Sn-based alloys, the vapor-liquid phase equilibrium composition diagrams of Sn-Pb, Sn-Sb and Sn-Zn binary systems were calculated. The calculated results indicate that Pb, Sb and Zn can be separated from Sn effectively. Based on the above calculation, the industrial experiments of vacuum distillation of Sn-Pb alloy, Sn-Pb-Sb alloy, Sn-Pb-Sb-As alloy, crude Sn and Sn-Zn alloy with different contents were carried out. The experimental results show that Pb(>99% Pb) and Sn(≤0.003% Pb) were obtained simultaneously while Sn-Pb alloy was subjected to vacuum distillation; the crude Sn(>90% Sn, ≤ 2% Pb, ≤6% Sb) and crude Pb(≤2% Sn) were obtained simultaneously while a single vacuum distillation was carried out for Sn-Pb-Sb alloy; the Pb and Bi contents in the Sn ingot(99.99% Sn) achieve the grade A of GB/T 728—2010 standard, more than 50% of As and Sb was removed after vacuum distillation of crude Sn; Zn(<0.002% Sn) and Sn(about 3% Zn) were obtained while vacuum distillation of Sn-Zn alloy was conducted at 1173 K, 20-30 Pa for 8-10 h.

Phase equilibrium of CaSO_4Ca(OH)_2-H_2O system

In order to provide the theoretical guidance for applying the neutralization method to treatment of heavy metals wastewater with high concentration of sulfate, and to better understand the mechanism of calcium sulfate scale formation, the equilibrium solubility data of CaSOa-Ca（OH）2-H2O system at 298.15 K were theoretically calculated via the Pitzer semi-empirical ion-interaction theory, and determined experimentally by the optical method combining with X-ray diffractometry, and the calculated and determined phase diagrams of CaSOa-Ca（OH）2-H2O system were plotted and compared. Physical definition of each area was studied, and the physical law of characteristic point and line was explained in detail. Adjusting the pH value of neutralization-hydrolysis solution depended on the SO4z- concentration in the system. And interaction characteristics between the solubilities of CaSO4（s）and Ca（OH）2（s）were found out.

Vapor-Liquid Equilibrium Data of Carbon Dioxide＋Methyl Propionate and Carbon Dioxide＋Propyl Propionate Systems

High-pressure vapor-liquid equilibrium data for the binary systems of methyl propionate＋carbon dioxide and propyl propionate＋carbon dioxide were measured at pressure from 1.00 MPa to 12.00 MPa and temperature in the range from 313 K to 373 K. Experimental results were correlated with the Peng-Robinson equation of state with the two-parameter van der Waals mixing rule. At the same time, the Henry＇s coefficient, partial molar enthalpy change and partial molar entropy change of CO2 during dissolution at different temperature were also calculated.

CALCULATIONS OF THE PHASE EQUILIBRIA AND CRITICAL CURVES WITH THE EQUATION OF STATE FOR BINARY MIXTURES

A rational equation of state of the perturbation type with a repulsion and attraction term has been applied to reproduce critical curves of six different binary systems up to high temperatures and pressures. A square well potential for intermolecular interaction is used. With pairwise combination rules for these potentials three adjustable parameters are needed. The experimental critical point and phase equilibrium data are compared with the values predicted using the equation of state. Good agreement is obtained for the analysis of the critical pressure composition data and molar volumes.

Ternary compounds and solid-state phase equilibria in Mg-rich side of Mg-Zn-Ca system at 300 ℃

The phase equilibria and compositions in Mg-rich side at 300 ℃ were investigated in Mg-Zn-Ca ternary system through the equilibrated alloy method by using scanning electron microscopy,electron probe microanalysis,X-ray diffraction and transmission electron microscopy.The results show that two ternary compounds T1 and T2 can be in equilibrium with the Mg-based solid solution in Mg-Zn-Ca system.T1 phase is a linear compound with the composition region（molar fraction） of 15% Ca,20.5%-48.9% Zn and balanced Mg at 300 ℃.Its hexagonal structure parameters decrease with increasing Zn content,i.e.a=0.992-0.945 nm,c=1.034-1.003 nm.T2 phase has hexagonal structure with the composition region of 26.4%-28.4% Mg,63.2%-65.5% Zn and 7.1%-8.4% Ca.At 300 ℃,the solubility of Zn in the Mg-based solid solution increases for the addition of Ca,the maximum solubility of Zn is 3.7%.Three-phase fields consisting of--Mg＋Mg2Ca＋T1,--Mg＋T1＋T2,--Mg＋T2＋MgZn and MgZn＋T2＋Mg2Zn3 exist in the Mg-Zn-Ca system at 300 ℃.

Isothermal section of Al-Ti-Zr ternary system at 1073 K

Through alloy sampling combined with diffusion triple technique, phase equilibria in Al-Ti-Zr ternary system at 1073 Kwere experimentally determined with electron probe microanalysis （EPMA）. Experimental results show that there is a solid solutionβ（Ti,Zr） which dissolves Al up to 16.3% （mole fraction）. Ti and Zr can substitute each other in most Ti-Al and Al-Zr binaryintermediate phases to a certain degree while the maximum solubility of Zr in Ti3Al and TiAl reaches up to 17.9% and 4.0% （molefraction）, respectively. The isothermal section consists of 16 single-phased regions, 27 two-phased regions and 14 three-phasedregions. No ternary phase was detected.

Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of AuCu_3-type sublattice system

Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing experimental phenomena of alloy phase transitions during extremely slow variation in temperature by equilibrium thinking mode and then taking erroneous knowledge of experimental phenomena as selected information for establishing Gibbs energy function and so-called equilibrium phase diagram. Second, the equilibrium holographic network phase diagrams of AuCu3-type sublattice system may be used to describe systematic correlativity of the composition?temperature-dependent alloy gene arranging structures and complete thermodynamic properties, and to be a standard for studying experimental subequilibrium order-disorder transition. Third, the equilibrium transition of each alloy is a homogeneous single-phase rather than a heterogeneous two-phase, and there exists a single-phase boundary curve without two-phase region of the ordered and disordered phases; the composition and temperature of the top point on the phase-boundary curve are far away from the ones of the critical point of the AuCu3 compound.

Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of Au_3Cu-type sublattice system

Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that the Gibbs energy function of an alloy phase should be derived from Gibbs energy partition function constructed of alloy gene sequence and their Gibbs energy sequence. Second, the six rules for establishing alloy gene Gibbs energy partition function have been discovered, and it has been specially proved that the probabilities of structure units occupied at the Gibbs energy levels in the degeneracy factor for calculating configuration entropy should be degenerated as ones of component atoms occupied at the lattice points. Third, the main characteristics unexpected by today’s researchers are as follows. There exists a single-phase boundary curve without two-phase region coexisting by the ordered and disordered phases. The composition and temperature of the top point on the phase-boundary curve are far away from those of the critical point of the Au3Cu compound; At 0 K, the composition of the lowest point on the composition-dependent Gibbs energy curve is notably deviated from that of the Au3Cu compounds. The theoretical limit composition range of long range ordered Au3Cu-type alloys is determined by the first jumping order degree.

Holographic alloy positioning design system and holographic network phase diagrams of Au-Cu system

Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is to establish holographic alloy positioning design (HAPD) system, of which the base consists of measurement and calculation center, SMMS center, AGE center, HAPD information center and HAPD cybernation center; Second, the resonance activating-sychro alternating mechanism of atom movement may be divided into the located and oriented diffuse modes; Third, the equilibrium and subequilibrium holographic network phase diagrams are blueprints and operable platform for researchers to discover, design, manufacture and deploy advanced alloys, which are obtained respectively by the equilibrium lever numerical method and cross point numerical method of isothermal Gibbs energy curves. As clicking each network point, the holographic information of three structure levels for the designed alloy may be readily obtained: the phase constitution and fraction, phase arranging structure and properties of organization; the composition, alloy gene arranging structure and properties of each phase and the electronic structures and properties of alloy genes. It will create a new era for network designing advanced alloys.

Phase equilibria in Mg-rich corner of Mg-Ca-RE(RE=Gd,Nd) systems at 400℃

The phase equilibria in Mg-rich corner of Mg-Ca-Gd and Mg-Ca-Nd ternary systems at 400℃ were determined through the equilibrated alloy method by using XRD, SEM, EPMA and DSC. Partial isothermal sections in Mg-rich corner of Mg-Ca-Gd and Mg-Ca-Nd ternary systems at 400 ℃ were constructed from 13 alloys. A three-phase region of a-Mg, Mg41RE5 and Mg2Ca was determined in both ternary systems. It is formed by a similar ternary eutectic reaction L→a-Mg＋Mg2Ca＋Mg41RE5 at 499.6 ℃ and 505.6 ℃, respectively. It is found that the maximum solubility of Ca in Mg5Gd is 3.68% （molar fraction） and 3% of Gd can be dissolved in Mg2Ca in the Mg-Ca-Gd system at 400 ℃. While in the Mg-Ca-Nd system, the maximum solubility of Ca in Mg41Nd5 is 3.57% and 1.24% of Nd can be dissolved in Mg2Ca at 400 ℃. Other three-phase equilibria existing in Mg-rich corner of Mg-Ca-Gd system are a-Mg＋MgsGd＋T and MgsGd＋Mg2Ca＋T and the three-phase equilibrium in Mg-rich corner of Mg-Ca-Nd system is Mg3Nd＋Mg2Ca＋ Mg41Nd5.

Measurement of phase equilibria in Ti-Ni-Sn system

Phase relations of the Ti-Ni-Sn ternary system were investigated via alloy sampling assisted with X-ray diffractometry(XRD)and electron probe micro-analysis(EPMA).A new binary phase with composition of TiSn4(molar fraction,%)was detected at 508 K.In addition,a supplementary phase(Ti1-x-yNixSny)Ni3(τ,AuCu3-type)was observed at 873 and 973 K.According to the characterised microscopic structure in various annealed alloys,four ternary phases were detected in Ti-Ni-Sn ternary system:TiNiSn,TiNi2Sn,Ti2Ni2Sn and(Ti1-x-yNixSny)Ni3.Additionally,isothermal sections of Ti-Ni-Sn ternary system at 508,873 and 973 K were constructed.By comparing three isothermal sections,a peri-eutectic reaction,L+TiNi2Sn→Ni3Sn4+TiNiSn,was deduced,which occurs at a temperature between 873 and 973 K.Furthermore,the solubility of Sn in TiNi and Ni in Ti5Sn3 was detected.

Progress in the Study on the Phase Equilibria of the CO2·H2O and CO2-HeO-NaCI Systems

To study the feasibility of CO2 geological sequestration,it is needed to understand the complicated mul- tiple-phase equilibrium and the densities of aqueous solution with CO2 and multi-ions under wide geological condi- tions(273.15—473.15K,0—60MPa),which are also essential for designing separation equipments in chemical or oil-related industries.For this purpose,studies on the relevant phase equilibria and densities are reviewed and ana- lyzed and the method to improve or modify the existing model is suggested in order to obtain more reliable pre- dictions in a wide temperature and pressure range.Besides,three different models(the electrolyte non random two-liquid(ELECNRTL),the electrolyte NRTL combining with Helgeson model(ENRTL-HG),Pitzer activity co- efficient model combining with Helgeson model(PITZ-HG))are used to calculate the vapor-liquid phase equilib- rium of CO2-H2O and CO2-H2O-NaCl systems.For CO2-H2O system,the calculation results agree with the experi- mental data very well at low and medium pressure(0—20MPa),but there are great discrepancies above 20MPa.For the water content at 473.15K,the calculated results agree with the experimental data quite well.For the CO2-H2O-NaCl system,the PITZ-HG model show better results than ELECNRTL and ENRTL-HG models at the NaCl concentration of 0.52mol·L -1 .Bur for the NaCl concentration of 3.997mol·L -1 ,using the ELECNRTL and ENRTL-HG models gives better results than using the PITZ-HG model.It is shown that available experimental data and the thermodynamic calculations can satisfy the needs of the calculation of the sequestration capacity in the temperature and pressure range for disposal of CO2 in deep saline aquifers.More experimental data and more accu- rate thermodynamic calculations are needed in high temperature and pressure ranges(above 398.15K and 31.5MPa).

Solid-Liquid Equilibria of trans-1,2-Cyclohexanediol＋Butyl Acetate＋ Water Ternary System

Using a laser observation technique,the solubilities of trans-1,2-cyclohexanediol in butyl acetate+wa- ter were measured at the temperature range from 298.15K to 323.15K by a synthetic method at atmospheric pres- sure.It is shown that the solubilities of trans-1,2-cyclohexanediol in butyl acetate+water were affected greatly by the proportion of butyl acetate and water,and presented maximum value at given temperature.The UNIFAC model was used to correlate the experimental data.The average relative deviation(ARD)between experimental and calculated values is 3.03%.

Phase equilibria in Ti-Ni-Pt ternary system

Phase equilibria in Ti?Ni?Pt ternary system have been experimentally determined through diffusion triple technique combined with alloy samples approach.Assisted with electron probe microanalysis(EPMA)and X-ray diffraction(XRD)techniques,isothermal sections at 1073 and 1173 K of this system were constructed and existence of ternary phase Ti2(Ni,Pt)3 was confirmed.In addition,binary compounds Ti3Pt5 and TiPt3-were found to be stable at 1073 and 1173 K,and remarkable ternary solubility in some binary compounds was detected,e.g.,solubility of Pt in TiNi can be up to about 36%(molar fraction)at 1073 K and 40%(molar fraction)at 1173 K.Furthermore,a ternary invariant transition reaction TiNi3+Ti3Pt5→Ti2(Ni,Pt)3+TiPt3+at a temperature between 1073 and 1173 K was deduced.

Solitary Waves for Cubic-Quintic Nonlinear Schroedinger Equation with Variable Coefficients

The cubic-quintic nonlinear Schroedinger equation （CQNLS） plays important parts in the optical fiber and the nuclear hydrodynamics. By using the homogeneous balance principle, the bell type, kink type, algebraic solitary waves, and trigonometric traveling waves for the cubic-quintic nonlinear Schroedinger equation with variable coefficients （vCQNLS） are derived with the aid of a set of subsidiary high-order ordinary differential equations （sub-equations for short）. The method used in this paper might help one to derive the exact solutions for the other high-order nonlinear evolution equations, and shows the new application of the homogeneous balance principle.

Prediction of Vapor-Liquid Equilibrium Data from C—H Band Shift of IR Spectra in Some Binary Systems

Prediction of vapor-liquid equilibrium （VLE） is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures in- clude water/2-propanol, water/N, N-dimethylformamide （DMF）, water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide （DMSO） systems. Simultaneous correlations of C--H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one ot the intinite chlution activity coefficients.

High-pressure Phase Equilibria for Binary Ethanol System Containing Supercritical CO_2

High-pressure phase behavior of supercritical (SC) CO2+ethanol system was investigated at 333.2 K,348.2K, 353.2K, 368.2K, 413.2K and 453.2K and pressure from 2.0MPa to 14.3MPa. The measurement was carried out in a cylindrical autoclave with a moveable piston and a window for adjustment and observation of phase equilibria at given T and p. The samples were taken from two coexisting phases and were analyzed to obtain their compositions. It is shown that the solubility of SC CO2 in ethanol increases drastically with pressures at the given temperature, but the content of ethanol in CO2-rich phase increase faintly.

Phase equilibria for the pseudo-ternary system(NaCl+Na2SO4+H2O)of coal gasification wastewater at T=(268.15 to 373.15)K

The pseudo-ternary system(Na Cl + Na_2SO_4+ H_2O) of coal gasification wastewater was studied at T =(268.15 to 373.15) K. The solubility and density of the equilibrium liquid phase were determined by the isothermal solution saturation method. The equilibrium solids were also investigated by the Schreinemaker's method of wet residues and X-ray powder diffraction(XRD). According to the experimental data, the phase diagrams were determined. It was found that there was no significant solubility difference on the Na Cl-rich side between the ternary system(Na Cl + Na_2SO_4+ H_2O) in coal gasification wastewater and in pure water. However, the solubility on the Na_2SO_4-rich side of coal gasification wastewater was apparently higher than that of pure water. The increase in the solubility of Na_2SO_4 was most likely caused by the effects of other impurities apart from Na Cl and Na_2SO_4 in coal gasification wastewater. The measured data and phase equilibrium diagrams can provide fundamental basis for salt recovery in coal gasification wastewater.