PHASE DIAGRAMS OF KF-LiCI-BaCl_2 AND LiF-LiCI-BaCl_2 SYSTEMS

The phase diagrams of molten salt systems KF-LiCI-BaCl_2 and LiCI-LiF-BaCl_2 have been determined by visual polythermal method.The relationship between the change of cation radius of monovalent fluoride and the areas of primary crystal region in the phase diagrams is discussed.

INVESTIGATION ON PHASE DIAGRAM OF SYSTEM LaCl_3-BaCl_2-NaCl

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CALCULATION OF NaCl-BaCl_2-SrCl_2 PHASE DIAGRAM

The mathematical formulas are given for calculating the partial molar thermodynamic proper- ties in a ternary system from its three corresponding binary systems based on the new ternary symmetric model presented by the authors in the foregoing paper.Applying this model to NaCl-BaCl_2-SrCl_2 system,the phase diagram of which as well as some isothermal sections have been calculated.The devations of temperature between the calculated and experimen- tal diagrams are less than five degrees.

Thermodynamic modeling and phase diagram prediction of salt lake brine systems.Ⅰ. Aqueous Mg^2+–Ca^2+–Cl^- binary and ternary systems

Salt lake brine is a complex salt-water system under natural environment.Although many models can express the thermodynamic properties and phase equilibrium of electrolyte aqueous solution,the multi-temperature characteristics and predictability are still the goals of model development.In this study,a comprehensive thermodynamic model system is re-established based on the eNRTL model and some improvements:(1) new expression of long-range electrostatic term with symmetrical reference state is proposed to handle the electrolyte solution covering entire concentration range;(2) the temperature dependence of the binary interaction parameters is formulated with a Gibbs Helmholtz expression containing three temperature coefficients,the liquid parameters,which associated with Gibbs energy,enthalpy,and heat capacity contribution;and(3) liquid parameters and solid species data are regressed from properties and solubility data at full temperature range.Together the activity coefficient model,property models and parameters of liquid and solid offer a comprehensive thermodynamic model system for the typical bittern of MgCl2-CaCl2-H2 O binary and ternary systems,and it shows excellent agreement with the literature data for the ternary and binary systems.The successful prediction of complete phase diagram of ternary system shows that the model has the ability to deal with high concentration and high non-idealitv system,and the ability to extrapolate the temperature.

Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field

The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within the mean-field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram and the tricritical point are obtained in the transverse field Ω/ zJ-longitudinal crystal D / zJ field plane. We find that there are the first order-order phase transitions in a very small range of D /zJ besides the usual first order-disorder phase transitions and the second order-disorder phase transitions,

Optimal parameter space for stabilizing the ferroelectric phase of Hf_(0.5)Zr_(0.5)O_(2) thin films under strain and electric fields

Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of(111) surfaces, compressive c-axis strain,and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.

Thermodynamic modeling and phase diagram prediction of salt lake brine systemsⅡ.Aqueous Li^(+)-Na^(+)-K^(+)-SO_(4)^(2-) and its subsystems

It is still a challenging task to accurately and temperature-continuously express the thermodynamic properties and phase equilibrium behaviors of the salt-lake brine with multi-component,multitemperature and high concentration.The essential subsystem of sulfate type brine,aqueous Li^(+)-Na^(+)-K^(+)-SO_(4)^(2-) and its subsystems across a temperature range from 250 K to 643 K are investigated with the improved comprehensive thermodynamic model.Liquid parameters(Δg_(IJ),Δh_(IJ),and ΔC_(p,IJ))associated with the contributions of Gibbs energy,enthalpy,and heat capacity to the binary interaction parameters,i.e.the temperature coefficients of eNRTL parameters formulated with a Gibbs Helmholtz expression,are determined via multi-objective optimization method.The solid constantsΔ_(f)G_(k)°^((298.15))andΔ_(f)H_(k)°^((298.15))of11 solid species occurred in the quaternary system are rebuilt from multi-temperature solubilities.The modeling results show the accurate representation of(1)solution properties and binary phase diagram at temperature ranges from eutectic points to 643 K;(2)isothermal phase diagrams for Li_(2)SO_(4)-Na_(2)SO_(4)-H_(2)O,Li_(2)SO_(4)-K_(2)SO_(4)-H_(2)O and Na_(2)SO_(4)-K_(2)SO_(4)-H_(2)O ternary systems.The predicted results of complete structure and polythermal phase diagram of ternary systems and the isothermal phase diagrams of quaternary system excellently match with the experimental data.

Phase Equilibrium and Phase Diagram of the Ternary System（MgCl2 + MgB2O4 + H2O） at 288 and 298 K

1 Introduction The brines with high concentrations of magnesium and boron resources are widely distributed in the Qaidam Basin of the Qinghai-Tibet plateau,China(Zheng&Tang,1988).Although some works on the ternary system

Phase diagram of the CsBr-CaBr_2 system

The phase diagram of the CsBr-CaBr2 system was re-determined by using differential thermal analysis and high ternperature and room ternperature X-ray diffraction analysis. It is concluded that there are three intermediate compounds in this system： a.congruently melting compound, CsCaBr3, with a melting point of 823℃ and two incongruently melting compounds, Cs2CaBr4 and Cs3Ca2Br7, whose peritectic points being 597℃ and 635℃, respectively. X-ray diffraction analysis indicated that compound CsCaBr3 is of slightly distorted perovskite structure.

Optimization of the Phase Diagram of CeO_2-ZrO_2 System

Revised phase diagram of the CeO2-ZrO2 system is optimized and the lattice stability parameters of CeO2 of various phases as well as solution parameters of phases (liquid, cubic, tetragonal and monoclinic) are simultaneously obtained by using the Kaufman and Nesor's model for describing the ceramic solutions and the Lukas program

Phase diagrams in mixed spin-3/2 and spin-2 Ising system with two alternative layers within the effective-field theory

The phase diagrams in the mixed spin-3/2 and spin-2 Ising system with two alternative layers on a honeycomb lattice are investigated and discussed by the use of the effective-field theory with correlations. The interaction of the nearest-neighbour spins of each layer is taken to be positive （ferromagnetic interaction） and the interaction of the adjacent spins of the nearest-neighbour layers is considered to be either positive or negative （ferromagnetic or antiferromagnetic interaction）. The temperature dependence of the layer magnetizations of the system is examined to characterize the nature （continuous or discontinuous） of the phase transitions and obtain the phase transition temperatures. The system exhibits both second- and first-order phase transitions besides triple point （TP）, critical end point （E）, multicritical point （A）, isolated critical point （C） and reentrant behaviour depending on the interaction parameters. We have also studied the temperature dependence of the total magnetization to find the compensation points, as well as to determine the type of behaviour, and N-type behaviour in Neel classification nomenclature existing in the system. The phase diagrams are constructed in eight different planes and it is found that the system also presents the compensation phenomena depending on the sign of the bilinear exchange interactions.

INVESTIGATION ON THE PHASE DIAGRAM OF TERNARY SYSTEM LaCl_3-SrCl_2-LiCl

Abstract: The phase diagram of ternary system LaCl3 - SrCl2 - LiCl has been investigated by means of DTA. It was found that there were three fields corresponding to primary crystallization of LaCl3, SrCl2 and LiCl respectively, three univeriant curves related to the secondary crystallization, a ternary eutectic E (46.8% LaCl3, 25.4% SrCl, 30.0% LiCl; 469℃) in the system. A ternary reaction occurred in the system:L = LaCl3 + SrCl2 + LiCl

Phase Diagrams of Two Binary Sections 4MnO·Nb_2O_52MnO·SiO_2 and MnO·Nb_2O_5—SiO_2 in the Ternary System MnO-Nb_2O_5-SiO_2

The phase diagram of the binary system MnO-Nb_2O_5 was studied by means of the differential thermal analysis(DTA),X-ray diffraction analysis and scanning electron microscopy(SEM).Thermodynamic da- ta of the new compounds 4MnO·Nb_2O_5 and MnO·Nb_2O_5were found as follows: 4MnO·Nb_2O_5:t_m=1398±2℃ △H_m=129000(J/mol) △S_m=77(J/mol,K) △G_m^o=129000-77T(J/mol) MnO·Nb_2O_5:t_m=1499±2℃ △H_m=86940(J/mol) △S_m=49.6(J/mol,K) △G_m^o=86940-49.6T(J/mol) The eutectic parameters for the system are given below: t_(E1)=1383±3℃ N_(E1(MnO))=0.896 t_(E2)=1312±2℃ N_(E2(MoO))=0.713 t_(E3)=1400±4℃ N_(E3(MnO))=0.231

PHASE DIAGRAM OF PrCl_3-SrCl_2-CaCl_2 SYSTEM

Five fields corresponding to the primary crystallization of PrCl_3,Sr_3PrCl_9,α(SrCl_2, CaCl_2),α_1(CaCl_2,SrCl_2)and α_2(SrCl_2,CaCl_2)respectively,six univariant lines related to the secondary crystallization,one ternary eutectic(48.0 wt-％ PrCl_3,23.5 wt-％ SrCl_2; 590℃)and ternary peritectic point(45.5 wt-％ PrCl_3,24.5 wt-％ SrCl_2;614℃) were determined by DTA.Attempts were also made to explore the rule governing the alteration in the phase diagram containing rare earth chloride,formation of compound and its stability by means of polarization and counter-polarization.

Phase diagrams of Li_2MoO_4-Na_2MoO_4 and Na_2MoO_4-K_2MoO_4 systems

The phase diagrams of the Li2MoO4-Na2MoO4 and Na2MoO4-K2MoO4 systems have been reassessed using differential thermal analysis together with high-temperature and room-temperature X-ray diffraction analysis. The results showed that the compound Li2MoO4.6Na2MoO4 did not exist; however, it confirmed the existence of the compound Li2MoO4.3Na2MoO4 in the Li2MoO4-Na2MoO4 systen＇ls. With regard to the system of Na2MoO4-K2MoO4, we could not confirm the results reported by Bukhanova who claimed that the system was eutectic type with 1：1 and 1：2 intermediate compounds, refuting the statement of Amadori who thought there was an apparent phase boundary at high temperature in α-solid solution region of the Na2MoO4-K2MoO4 binary system. The revised phase diagrams of these systems are illustrated in this article. These experimental results are in agreement with the computerized prediction using the support vector machine-atomic parameter method for the assessment of phase diagrams.

Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal Field

The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal field is studied within themean-field theory.The phase diagrams and magnetization curves are obtained by diagonalizing the Hamiltonian H_i ofthe Ising system numerically,and the first order-order phase transitions,the first order-disorder phase transitions,andthe second-order phase transitions are discussed in details.Reentrant phenomena occur when the value of the transversefield is not zero and the reentrant diagram is given.

New T-x Phase Diagram in the System CeH_2-CeH_3 Investigated by DSC

Using differential scanning calorimetry, a systematic investigation of the phase diagram of the CeH_2CeH_3 system has been performed. Based on the measurements carried out on high purity samples and supported by high accuracy hydrogen content determination, a new Tx phase diagram for 110<T<400 K and 2<x<3(CeHx) is proposed. This new phase diagram shows an up to now unknown complex phase relationships with the existence of at least 13 phases at T<400 K.

Calculation of the PrCl_3-CaCl_2-MgCl_2 Phase Diagram

Based on the thermodynamically self-consistent analysis and optimization of three sub-binary systems of the ternary system PrCl_3-CaCl_2-MgCl_2,the thermodynamics of this ternary system has been studied.Using Hillert model and taking MgCl_2 as an asymmetric component,the PrCl_3-CaCl_2-MgCl_2 phase diagram has been calculated.The agreement between calculated and measured compositions and temperatures at deflecting points on liquidus is good.The system is a simple eutectic one with a eutectic point at 26.0mol% PrCl_3, 41.5mol% CaCl_2,32.5mol% MgCl_2;560℃(calculated)and 26.0mol% PrCl_3,39.4mol% CaCl_2,34.6mol% MgCl_2;546℃(measured),respectively.

PHASE DIAGRAM OF TERNARY SYSTEM PrCl_2-CaCl_2-MgCl_2

Three surfaces corresponding to the primary crystallization of PrCl_3,CaCl_2 and MgCl_2 respectively,3 univariant curves related to the secondary crystallization and a ternary eutectic(44.8 wt-% PrCl_3,31.8 wt-% CaCl_2,546℃)were found in system PrCl_3-CaCl_2-MgCl_2 by means of DTA.A reaction occurs in this system: L=PrCl_3+CaCl_2+MgCl_2.

Primary study of the isothermal phase diagram of the Cu_2O-Al_2O_3-SiO_2 ternary system at 1150℃ in air

The isothermal phase diagram of the Cu2O-Al2O3-SiO2 ternary system at 1150℃ was reported for the samples which were prepared from sol-gel method and quenched by water after being heated at 1150℃ for 12 h. Based on the conventional X-ray powder diffraction （XRD） and in situ high-temperature XRD quantitative analysis,in addition to scanning electron microscopy measurement,the phase identification was achieved. Combining the deduction from the component phase diagrams of the binary systems using the phase equilibrium theorem,the primary isothermal phase diagram was plotted over the composition area Cu2O-mullite-SiO2. In this area,the approximate composition areas of two two-phase regions and one three-phase region,（L2＋Cr）,（L2＋M）,and （L1＋L2＋Tr）,were determined. Moreover,the precise composition areas of both of the three-phase regions （L2＋Cr＋M） and （L2＋M＋A） were determined according to the results of conventional and in situ high-temperature XRD quantitative analysis by Rietveld method.