Liquid-Solid Phase Equilibria of Nb-Si-Ti Ternary Alloys

To determine the liquid-solid phase equilibria of the Nb-Si-Ti ternary system, Nb-Si-Ti alloys of different compositions are prepared. By means of scanning electron microscopy （SEM）, X-ray diffraction （XRD） and electron probe microanalysis （EPMA）, the phases in the alloys, such as Si-based solutions, Ti（Nb）Si, Ti（Nb）Si2, Nb（Ti）Si2, Ti（Nb）5Si4, Nb（Ti）5Si3, Ti（Nb）5Si3, Nb（Ti）3Si and Nb-based solutions are identified, and the phase evolution is analyzed. As a result, the microstmctural and microchemical evidence provides a clear definition of the Nb-Si-Ti liquidus surface projection and indicates that the ternary phase diagram has seven transition reactions.

Modeling phase equilibria of semiclathrate hydrates of CH_4,CO_2 and N_2 in aqueous solution of tetra-n-butyl ammonium bromide

Semiclathrate hydrates of tetra-n-butyl ammonium bromide （TBAB） offer potential solution for gas storage, transportation, separation of flue gases and CO2 sequestration. Models for phase equilibria for these systems have not yet been developed in open literatures and thus require urgent attention. In this work, the first attempt has been made to model phase equilibria of semiclathrate hydrates of CH4, CO2 and N2 in aqueous solution of TBAB. A thermodynamic model for gas hydrate system as proposed by Chen and Guo has been extended for semiclathrate hydrates of gases in aqueous solution of TBAB. A correlation for the activity of water relating to the system temperature, concentration of TBAB in the system and the nature of guest gas molecule has been proposed. The model results have been validated against available experimental data on phase equilibria of semiclathrate hydrate systems of aqueous TBAB with different gases as guest molecule. The extended Chen and Guo＇s model is found to be suitable to explain the promotion effect of TBAB for the studied gaseous system such as, methane, carbon dioxide and nitrogen as a guest molecule. Additionally, a correlation for the increase in equilibrium formation temperature （hydrate promotion temperature, ATp） of semiclathrate hydrate system with respect to pure gas hydrate system has been developed and applied to semiclathrate hydrate of TBAB with several gases as guest molecules. The developed correlation is found to predict the promotion effect satisfactorily for the system studied.

Stable and metastable phase equilibria in binary Mg-Gd system: A comprehensive understanding aided by CALPHAD modeling

In this paper,a comprehensive understanding of stable and metastable phase equilibria in binary Mg-Gd system was conducted with an aid of the CALculation of PHAse Diagram(CALPHAD)modeling.Firstly,thermodynamic descriptions of all the stable phases in the Mg-Gd system were re-assessed by considering all the experimental data in the literature.The discrepancy between the phase equilibria and thermochemical properties existing in the previous assessments was eliminated,and the better agreement with the experimental data was achieved in the present assessment.Secondly,the Gibbs energies for metastable β"-Mg3Gd and β"-Mg7Gd were constructed based on the first-principles and CALPHAD computed results as well as their correlation,and then incorporated into the CALPHAD descriptions.The model-predicted solvuses of(Mg)in equilibrium with the metastable β"-Mg7Gd and β'-Mg7Gd compounds showed very good agreement with the limited experimental data.Finally,the presently obtained thermodynamic descriptions of both stable and metastable phases in the binary Mg-Gd system were further validated by realizing the quantitative Scheil-Gulliver solidification simulations of 5 as-cast Mg-Gd alloys,and the successful prediction of the precipitation sequences in Mg-15Gd and Mg-12Gd alloys during the aging process.

Phase Equilibria in Nb-Si-Mo Ternary Alloys at 1273 K and 2073 K

Phase equilibrium in Nb-Si-Mo ternary alloys （〈37.5 at.% Si） at 1 273 K and 2 073 K is investigated by using X-ray diffraction （XRD） analysis, scanning electron microscopy （SEM） and energy dispersive spectroscopy （EDS）. The partial isothermal section at 1 273 K, which contains four single-phase regions, five two-phase regions and two three-phase regions, is basically the same as that at 1 973 K. However, when the temperature increases to 2 073 K, the three-phase region of Nbss＋ct-（Nb（Mo））sSi3＋13-（Nb,Mo）sSi3 obviously moves towards the Nb-rich comer. This suggests that Nb-Si-Mo ternary alloys remain stable at least up to 1 973 K.

Calculation of Phase Equilibria Based on the Levenberg-Marquardt Method

The Levenberg-Marquardt method, the best algorithm to obtain the least-square solution of nonlinear equations, is applied to calculate the stable phase equilibria. It can get the best combination between robustness and speed of the calculations. Its application to ternary AI-Si-Mg system is executed in detail. The calculated phase equilibria agree well with the experimental results. Furthermore, the Levenberg-Marquardt method is not sensitive to the initial values.

Thermodynamics and Phase Equilibria for Ce,Y in the Presence of O,S in Ni-base Solutions

The deoxidation,desulfuration,deoxysulfuration constants and the standard Gibbs energies(in J mol^(-1))of formation of the following rare earth compounds as the equilibrium phases in Ni-base solutions are given: Ce_2O_3:lgK=-(6.0729×10~4/T)+16.50 △G^0=-1.162460×10~6+315.84T Ce_2O_2S:lgK=-(5.1450×10~4/T)+12.46 △G^0=-9.84850×10~5+238.50T Ce_2S_3:lgK=-(7.2232×10~4/T)+27.98 △G^0=-1.382600×10~6+535.55T Y_2O_3:lgK=-(4.2572×10~4/T)+7.74 △G^0=-8.14920×10~5+148.16T Y_2O_2S:lgK=-(3.3146×10~4/T)+3.85 △G^0=-6.34460×10~5+73.72T Y_2S_3:lgK=-(1.22487×10~5/T)+55.78 △G^0=-2.344630×10~0+1067.76T Interaction coefficients between Ce.Y and O are also given: e_o^(?)=-(3.33451×10~5/T)+149.7 e_O^(?)=-(1.63437×10~5/T)+71.8 The phase equilibria for Ni-Ce-S-O and Ni-Y-S-O solutions at 1600℃ provide the basis for pre- dicting the sequence and type of Ce and Y equilibrium phases formed in Ni-base solutions.The formulas controlling the morphology of inclusion formed in liquid Ni by Ce or Y addition are also given.

Phase Equilibria of the Aqueous Systems Containing Lithium and Carbonate Ions

1 Introduction Alkaline lakes are widely distributed in the area of the Qinghai-Tibet Plateau.Most of the salt lakes are famous for their high concentration of lithium,potassium,magnesium,boron(Ma,2000).In recent years,as a new energy material,lithium and its compounds are widely used in the new area,such as aerospace industry,nuclear

Phase equilibria calculation of LaI_3-MI (M=Na,K,Cs) binary systems

The Gibbs energies of liquid phases in the LaI3-MI （M= Na, K, Cs） systems were described by the modified quasi-chemical model. From the measured phase equilibrium data of these binary systems, a set of thermodynamic functions were optimized by using the CAL- PHAD technique. The enthalpy of mixing and the interaction parameter of the liquid phase were predicted from known data for the LaI3-MI systems.

Phase Equilibria in System Pd-Au-Sn and Pd-Cu-Sn at 800℃ and 500℃

Alloys of Pd-Au-Sn and Pd-Cu-Sn systems were investigated using metallography,electron microprobe,X ray diffraction and DTA.Partial isothermal sections were plots at 800oС and 500oС.Ternary τ-phase having tetragonal structure has been established in each systems.The region of existence of phases in equilibrium with the solid solution based on palladium.

Solid–liquid Phase Equilibria in the Aqueous Ternary System Containing Lithium,Potassium,and Sulfate ions at 288.15 K

1 Introduction Salt lakes are widely distributed in the western of China,especially in the area of Qinghai-Xizang(Tibet)Plateau.A series of salt lakes in the Qaidam Basin,located in Qinghai Province,China,is famous for their abundance of lithium,potassium and boron resources(Zheng et al,1988;Deng et al,2012).It is well known that the

Effect of the interaction between the chemical and the magnetic ordering on the phase equilibria of iron base alloys

It is well known that the magnetic properties such as the Curie temperature Tmag <sub>C and the mean magnetic moment β of ordered compounds have different values from those of the disordered solutions. For instance, both Tmag c and β of the Ni3Pt （L12） and NiPt （L10） and Tmag <sub>c of the CoPt （L10） and CoPt3 （L12） ordered compounds are strongly depressed due to the ordering compared with those of the metastable disordered Ni-Pt and Co-Pt alloys. On the other hand, the γ’-FeNi3 （L12） and the α’-FeCo （B2） ordered compounds have higher Tmag <sub>c and β values comparing with the disordered solution phases, γ （A1） and α （A2）, respectively. In consequence, the stability of the ordered phase is depressed or enhanced due to the interaction between the chemical and magnetic ordering caused by the decrease or increase of Tmag <sub>c and β values. The purpose of this study is to investigate the effect of the interaction between the chemical and the magnetic ordering on the phase equilibria in the Fe-X（X=Al, Co, Ni, Rh, Si） binary systems.The Gibbs energy of the α（A2）, γ（A1） and liquid phases is described by a sub-regular solution approximation. The ordering contribution to the Gibbs energy ,ΔGorder <sub>m, and deviations of magnetic properties, ΔTmag <sub>c and Δβ, of the ordered compounds, FeAl （B2）, Fe3Al （D03）, FeCo （B2）, FeRh （B2）, FeSi （B2）, Fe3Si （D03） and FeNi3 （L12） is introduced by the split compound energy formalism. Effect of the interaction between the chemical ordering, B2, D03 and L12 and the magnetic ordering on the phase equilibria will be discussed according to the calculated phase diagrams of the Fe-X binary systems.

Thermodynamics of Phase Equilibria in FeO-TiO2-Al_(2)O_(3)System

This scientific paper discusses the information on the structure of the three-component system FeO-TiO_(2)-Al_(2)O_(3),which is necessary for the creation of heat-resistant oxide materials.The structure of binary systems:FeO-Al_(2)O_(3),FeO-TiO_(2),and Al_(2)O_(3)-TiO_(2)is described,and the data on the FeO-TiO_(2)-Al_(2)O_(3)system are presented.The thermodynamic data of all compounds of the system are given,on the basis of which the change in the Gibbs free energy in the temperature range of 800-1900 K for twenty-one exchange reactions was calculated.It has been established that the triangulation of the FeO-TiO_(2)-Al_(2)O_(3)system changes in five temperature ranges:up to 1408 K(TiO_(2)exists in the polymorphic modification-anatase),1408-1537 K(TiO_(2)exists in the polymorphic modification-rutile and pseudobrookite is stable),1537-1630 K(thialite is stable),1630-2076 K(rearrangement cannot occur)and above 2076 K(the presence of the stoichiometric compound Al_(4)TiO_(8)is allowed).Two-phase equilibria up to 1408 K are stable:Al_(2)O_(3)-FeTiO_(3),FeTiO_(3)-FeAl_(2)O_(4),and FeAl_(2)O_(4)-Fe_(2)TiO_(4);in the temperature range of 1408-1537 K:FeAl_(2)O_(4)-TiO_(2),FeAl_(2)O_(4)-FeTi_(2)O_(5),FeAl_(2)O_(4)-FeTiO_(3),and FeAl_(2)O_(4)-Fe_(2)TiO_(4);in the temperature range of 1537-1630 K:FeAl_(2)O_(4)-TiO_(2),FeAl_(2)O_(4)-FeTi_(2)O_(5),FeAl_(2)O_(4)-FeTiO_(3),FeAl_(2)O_(4)-Fe_(2)TiO_(4),and FeAl_(2)O_(4)-Al_(2)TiO_(5);in the temperature range of 1630-2076 K:FeTi_(2)O_(5)-Al_(2)TiO_(5),Al_(2)TiO_(5)-FeTiO_(3),FeTiO_(3)-Al_(2)O_(3),FeTiO_(3)-FeAl_(2)O_(4),and FeAl_(2)O_(4)-Fe_(2)TiO_(4);over 2076 K:FeTi_(2)O_(5)-Al_(2)TiO_(5),FeTi_(2)O_(5)-Al_(4)TiO_(8),Al_(4)TiO_(8)-FeTiO_(3),Al_(4)TiO_(8)-Fe_(2)TiO_(4),Al_(4)TiO_(8)-FeO,and Al_(4)TiO_(8)-FeAl_(2)O_(4).

The Metastable Phase Equilibria of the MeX-MgCl_2-H_2O Systems

1 Introduction The Pingluoba brine,which characterized as high concentration with sodium,potassium,boron,lithium,and rubidium,possess great development value.The main composition of the brine can be summarized to the

Thermodynamics Phase Equilibria for the Salt- Water System of Potassium and Rubidium Ions

1 Introduction Brines,containing a variety of useful components,such as alkali metal(IA),alkaline earth metal(type IIA),halogen elements(such as VIIA),are naturally occurring complex electrolyte solution.Although rubidium is not the main component of the brine,while in the brine exploiting process,rubidium ion is continuously enriched in the

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.

DETERMINATION OF PHASE EQUILIBRIA AND CRITICAL LOCUS OF CO_2-HCFC22 SYSTEM

1 INTRODUCTIONHydrochlorofluorocarbons(HCFCs)and hydrofluorocarbons(HFCs)are alternatives tochlorofluorocarbons(CFCs),such as CFC12(freon 12),which has been widely used asan aerosol agent and working fluid of domestic1:ICthdflC(CHCIFZ,HCFC22,R22)is one of the potential alternatives.It Is also one of the po-tentlal entralner for supercrltlcal fluid CO,extraction.

EXPERIMENTAL MEASUREMENT OF SUPERCRITICAL CO_2-LOW VOLATILITY LIQUID PHASE EQUILIBRIA

Extraction equilibria of three low volatility liquids （benzyl alcohol,2-phenethyl alcohol and citronellol）separately with supercritical CO2 were determined in a semi-flow apparatus at two temperatures（308.2K and318.2K）and pressures up to 20MPa.The solubility data of CO2 in methyl benzoate were also obtained at thetwo temperatures in two-phase region.The experimental data were correlated by means of the Peng-Robinsonequation of state with two characteristic parameters.

Phase Equilibria of Hydrogen Bonding Fluid in a Slit Pore with Broken Symmetry

液体与破对称在一个裂缝毛孔限制了的氢结合的阶段 equilibria (HB ) 被功能的理论与修改基本措施理论合并了的密度调查，在碎的对称从在液体分子和裂缝毛孔的二面墙之间的不同相互作用发源的地方。以吸附解吸附作用等温线和相应宏大潜力，在各种各样的条件下面的 HB 液体的阶段图被论述。通过放转变和毛状的冷凝作用的阶段共存，而且，阶段平衡性质上的 HB 相互作用，毛孔宽度，液体毛孔相互作用和破对称的效果被探讨。因为在分子间的相互作用和液体毛孔相互作用之间的比赛，这些因素能在限制 HB 液体的阶段 equilibria 上产生明显的影响，这被显示出。有趣地，裂缝毛孔的破对称的重要影响被发现，并且因此，碎的对称能提供一个新方法调整各种各样的限制液体的阶段行为。

Measurement and correlation of solid–liquid phase equilibria for binary and ternary systems consisting of N-vinylpyrrolidone, 2-pyrrolidone and water

The solid–liquid equilibria(SLE)for binary and ternary systems consisting of N-Vinylpyrrolidone(NVP),2-Pyrrolidone(2-P)and water are measured.The phase diagrams of NVP(1)+2-P(2),NVP(1)+water(2),NVP(1)+2-P(2)+1 wt%water(3)and NVP(1)+2-P(2)+2 wt%water(3)are identified as simple eutectic type with the eutectic points at 263.75 K(x_(1E)=0.5427),251.65 K(x_(1E)=0.3722),260.25 K(x_(1E)=0.5031)and256.55 K(x_(1E)=0.4684),respectively.The phase diagram of 2-P(1)+water(2)has two eutectic points(x_(1E)=0.1236,T_E=259.15 K and x_(1E)=0.7831,T_E=286.15 K)and one congruent melting point(x_(1C)=0.4997,T_C=303.55 K)because of the generation of a congruently melting addition compound:2-P·H_2O.The ideal solubility and the UNIFAC models were applied to predict the SLE,while the Wilson and NRTL models were employed in correlating the experimental data.The best correlation of the SLE data has been obtained by the Wilson model for the binary system of NVP+2-P.The UNIFAC model gives more satisfactory predictions than the ideal solubility model.

Study on the Phase Equilibria of Hard Core Asakura-Oosawa Fluids with Renormalization-group Theory

An analytical equation of state (EOS) for hard core Asakura-Oosawa (AO) fluid is established by combining the AO potential, the first-order perturbation theory and the radial distribution function (RDF) for the hard sphere fluid.The phase equilibria are studied by using the renormalization-group (RG) theory. The obtained results agree well with the simulation data. Investigation shows that the attractive range parameter plays an important role in the phase equilibria for AO fluid.