Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutec...Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutectic and involving a compound phase diagram and so on.Using these formulae heats of fusion of some rare earth ox- ides have been predicted.展开更多
The characteristics and the models of rare earth elements in the geological bodies and the hydrothermal water balanced with the adamellite were comprehensively studied in Aktishikan gold deposit,Nurt area of Altay,Xin...The characteristics and the models of rare earth elements in the geological bodies and the hydrothermal water balanced with the adamellite were comprehensively studied in Aktishikan gold deposit,Nurt area of Altay,Xinjiang.And the behavior of rare earth elements during metasomatic alteration was discussed by using the isocon method of Grant.The results show that the rare earth elements are inert during metasomatic alteration,the hydrothermal water has no relation to the magmatic water,and the gold material sources mainly stem from the wall rock.展开更多
The regularities of the solid solutions between the scheelite-type compounds and rare earth molybdates or tungstates were investigated by the atomic parameter-support vector machine method and the intelligent database...The regularities of the solid solutions between the scheelite-type compounds and rare earth molybdates or tungstates were investigated by the atomic parameter-support vector machine method and the intelligent database of phase diagrams of molten salt systems. The crystal structure of scheelite-type compounds having M^1M^′Ⅲ （XO4）2（X = Mo, W） as common formula and the formability of the continuous solid solution between these compounds and rare earth molybdates or tungstates were also investigated. Besides, the cell constants of these compounds can be calculated by some semi-empirical equations. Based on the obtained relationships, the results of computerized prediction of the solid solubility of T1Pr （MoO4）2-Pr2 （MoO4）3 system have good agreement with experimental results.展开更多
Electro-reduction of spent nuclear oxide fuels in molten salt was the key step of pyroprocessing for oxide fuel treatment. In the present study, the E-pO^2- diagram for rare earth elements in molten Li Cl-KCl at 450 o...Electro-reduction of spent nuclear oxide fuels in molten salt was the key step of pyroprocessing for oxide fuel treatment. In the present study, the E-pO^2- diagram for rare earth elements in molten Li Cl-KCl at 450 oC were developed based available experimental data. E-pO^2- diagrams could show the stability of each chemical compound in the salt, and therefore, the diagrams could be applied to predict experimental conditions for electro-reduction of spent nuclear fuel efficiently. Compared with the available E-pO^2-diagrams, the present study concerned the activity coefficient of the element studied in the molten salt in all reactions, which made the diagram be more reliable and accurate.展开更多
Thermodynamic optimization of the binary rare earth alloy(Cee La, Cee Pr, Cee Nd and Lae Nd) systems was performed in this work through the CALPHAD method based on the critical evaluation of all available phase diagra...Thermodynamic optimization of the binary rare earth alloy(Cee La, Cee Pr, Cee Nd and Lae Nd) systems was performed in this work through the CALPHAD method based on the critical evaluation of all available phase diagram and thermodynamic data reported in the literature. During the thermodynamic modeling, the solution phases including liquid, bcc, fcc and dhcp, were treated as the substitutional solution model. Thermodynamic parameters of the stable phases in the Cee La, Cee Pr, Cee Nd and Lae Nd binary systems are obtained finally and would be used directly to develop the thermodynamic database of the multi-component Nde Fee B-based alloys, which is indispensable for designing alloy compositions and processes of Nde Fee B permanent magnets with highly abundant rare earth metals.展开更多
In order to study the aqueous stability of rare earth and thorium elements and the reaction mechanism of hydrochloric acid leaching of roasted bastnaesite,Eh-pH diagrams for La-,Nd-,Ce-,Th-（Cl）-（F）-H2 O systems at...In order to study the aqueous stability of rare earth and thorium elements and the reaction mechanism of hydrochloric acid leaching of roasted bastnaesite,Eh-pH diagrams for La-,Nd-,Ce-,Th-（Cl）-（F）-H2 O systems at 20 ℃ were depicted using HSC Chemistry 6.0 software. Eh-pH diagrams of La-, Ce-,Nd-and Th-Cl-H2 O systems show that trivalent rare earth would be leached into solution by adjusting the acidity of the leaching solution, while tetravalent cerium and thorium would be remained in the leaching residue. And in the case that the pH value of the leaching solution is lower than 2, tetravalent cerium would be partially reduced by chlorine ions（Cl^-）, which is well agreed with the industrial production. It can be inferred from Eh-pH diagrams for the systems La-, Nd-,Ce-, Th-F-H2 O that the leached trivalent rare earth ions（RE^（3＋）） and tetravalent thorium ions（Th^（4＋）） are preferentially combined with fluorine ions（F） to form sediment during non-reductive acid leaching of roasted bastnaesite. However,when controlling the pH value of the leaching solution below 0, fluorine and tetravalent cerium in the roasted bastnaesite would be leached out in the form of soluble [CeF3]~＋ complex. That means the precipitation of REF3 and ThF4·2.5 H2 O can be avoided in the leaching step. According to Eh-pH diagrams for the system Ce-F-Cl-H2 O, [CeF3]~＋ in the leaching solution would be reduced to CeF3 precipitate in the presence of Cl^-, that is to say, tetravalent cerium and fluorine would be firstly leached out to form[CeF3]~＋,which would then be reduced to CeF3 precipitate by Cl^-in the hydrochloric acid leaching process of roasted bastnaesite.展开更多
From the measured phase equilibria data and experimental thermochemical properties, the TmCl_3-ACl (A=Na, K, Rb, Cs) phase diagrams were optimized and calculated using the CALPHAD technique. For describing the Gibbs e...From the measured phase equilibria data and experimental thermochemical properties, the TmCl_3-ACl (A=Na, K, Rb, Cs) phase diagrams were optimized and calculated using the CALPHAD technique. For describing the Gibbs energies of the liquid phase in these systems, the new modified quasichemical model in the pair-approximation for short-range ordering was used. A set of thermodynamic functions was optimized and gotten based on an interactive computer-assisted analysis. The calculated phase diagrams and thermodynamic data are self-consistent.展开更多
YbCl3-MCl （M = Na, K, Rb, Cs） systems were optimized and calculated using the CALPHAD （CALculation of PHAse Diagram） technique. The modified quasi-chemical model in the pair-approximation for short-range ordering ...YbCl3-MCl （M = Na, K, Rb, Cs） systems were optimized and calculated using the CALPHAD （CALculation of PHAse Diagram） technique. The modified quasi-chemical model in the pair-approximation for short-range ordering was used to describe the Gibbs energies of liquid phase in the systems. On the basis of the measured phase diagram data and experimental thermodynamic properties, a series of thermodynamic functions were optimized and calculated through an interactive computer-assisted analysis. Furthermore, some reasonable discussions on the thermodynamic parameters for these strong interaction binary systems were carded out. The results showed that the optimized parameters and experimental data are thermodynamically self-consistent.展开更多
By using CALPHAD (Calculation of Phase Diagram) technique the optimization and calculation of the binary systems of TbCl_3-ACl (A= Li, Na, K, Rb, Cs) were carried out. For describing the Gibbs free energy of liquid ph...By using CALPHAD (Calculation of Phase Diagram) technique the optimization and calculation of the binary systems of TbCl_3-ACl (A= Li, Na, K, Rb, Cs) were carried out. For describing the Gibbs free energy of liquid phase in these systems the new modified quasichemical model in the pair-approximation for short-range ordering was used. From measured phase equilibria data and experimental integral properties the TbCl_3-ACl phase diagrams were optimized and calculated. A set of thermodynamic functions was optimized based on an interactive computer-assisted analysis. The calculated phase diagrams and thermodynamic data are self-consistent.展开更多
With the aid of 3-dimensional topological analysis methodology,relationships among phage regions on the isothermal section of the Nd-Fe-B phase diagram at 1000℃ and those on vertical sections of the Pr-Fe-B phase dia...With the aid of 3-dimensional topological analysis methodology,relationships among phage regions on the isothermal section of the Nd-Fe-B phase diagram at 1000℃ and those on vertical sections of the Pr-Fe-B phase diagram passing through Pr_2 Fe_(14)B point have been re-discussed and modified.展开更多
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 ...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.展开更多
Work has been done in preparing ternary diffusion couple containing one rare earth element.Though rare earth is highly reactive,we have successfully prepared two ternary diffusion couples containing yttrium by means o...Work has been done in preparing ternary diffusion couple containing one rare earth element.Though rare earth is highly reactive,we have successfully prepared two ternary diffusion couples containing yttrium by means of special technique.By using electron microprobe analysis(EMPA),the two isothermal sections of Y-Zr-Hf and Y-Zr-Nb ternary systems at 1273K have been determined.The section of Y-Zr-Hf system consists of three one-phase regions,three two-phase regions and one three-phase region.And that of Y-Zr-Nb system consists of two one-phase regions and one two-phase region.The effeet of some factors on EMP measuring ac- curacy was also discussed.展开更多
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 ...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.展开更多
Based on the assessment and optimization of nine experimental sub-binary phase diagramsand thermodynamic data (RECl3-LiCl, RECl3-CaCl2 and CaCl2-LiCl), four phase diagrams of theRECl3-CaCl2-LiCl systems are calculated...Based on the assessment and optimization of nine experimental sub-binary phase diagramsand thermodynamic data (RECl3-LiCl, RECl3-CaCl2 and CaCl2-LiCl), four phase diagrams of theRECl3-CaCl2-LiCl systems are calculated and brieflly discussed.展开更多
Phase equilibria of the R-Fe-Co pseudoternary system with R≤33.3%(mole fraction, R=Sm 0.5Dy 0.5) were determined in an isothermal section at 1 073 K and a vertical section of RFe 2-RCo 2 by using OM, X-ray diffractom...Phase equilibria of the R-Fe-Co pseudoternary system with R≤33.3%(mole fraction, R=Sm 0.5Dy 0.5) were determined in an isothermal section at 1 073 K and a vertical section of RFe 2-RCo 2 by using OM, X-ray diffractometer, EPMA DTA techniques. There are seven intermetallic phases: (Sm, Dy)(Fe, Co) 2, (Sm, Dy)(Fe, Co) 3, (Sm, Dy) 6(Fe, Co) 23, (Sm, Dy) 2(Fe, Co) 7, (Sm, Dy)(Fe, Co) 5, Th 2Ni 17-type and Th 2Zn 17-type (Sm, Dy) 2(Fe, Co) 17. The (Sm, Dy) 6(Fe, Co) 23 phase dissolves 36% Co(mole fraction) at 1 073 K. However, the (Sm, Dy) 2(Fe, Co) 7 phase in R 2(Fe 1-xCo x) 7 alloys dissolves about 19% Fe(mole fraction) at 1 073 K.展开更多
文摘Based on the thermodynamical principle the new formula for calculation of heat of fusion and its error have been derived from binary phase diagrams which could be classified to eutectic,solid solution,degenerate eutectic and involving a compound phase diagram and so on.Using these formulae heats of fusion of some rare earth ox- ides have been predicted.
文摘The characteristics and the models of rare earth elements in the geological bodies and the hydrothermal water balanced with the adamellite were comprehensively studied in Aktishikan gold deposit,Nurt area of Altay,Xinjiang.And the behavior of rare earth elements during metasomatic alteration was discussed by using the isocon method of Grant.The results show that the rare earth elements are inert during metasomatic alteration,the hydrothermal water has no relation to the magmatic water,and the gold material sources mainly stem from the wall rock.
文摘The regularities of the solid solutions between the scheelite-type compounds and rare earth molybdates or tungstates were investigated by the atomic parameter-support vector machine method and the intelligent database of phase diagrams of molten salt systems. The crystal structure of scheelite-type compounds having M^1M^′Ⅲ （XO4）2（X = Mo, W） as common formula and the formability of the continuous solid solution between these compounds and rare earth molybdates or tungstates were also investigated. Besides, the cell constants of these compounds can be calculated by some semi-empirical equations. Based on the obtained relationships, the results of computerized prediction of the solid solubility of T1Pr （MoO4）2-Pr2 （MoO4）3 system have good agreement with experimental results.
基金Project supported by DOE Office of Nuclear Energy’s Nuclear Energy University Programs(14-6489)
文摘Electro-reduction of spent nuclear oxide fuels in molten salt was the key step of pyroprocessing for oxide fuel treatment. In the present study, the E-pO^2- diagram for rare earth elements in molten Li Cl-KCl at 450 oC were developed based available experimental data. E-pO^2- diagrams could show the stability of each chemical compound in the salt, and therefore, the diagrams could be applied to predict experimental conditions for electro-reduction of spent nuclear fuel efficiently. Compared with the available E-pO^2-diagrams, the present study concerned the activity coefficient of the element studied in the molten salt in all reactions, which made the diagram be more reliable and accurate.
基金Project supported by National Key Research and Development Program of China(2016YFB0700901)National Basic Foundation of China(2014CB643703)+3 种基金National Natural Science Foundation of China(51761008,51461013)Guangxi Natural Science Foundation(2016GXNSFDA380015,2016GXNSFGA380001)Guangxi Project of Science and Technology(2017AD23031)Guangxi Key Laboratory of Information Materials,Guilin University of Electronic Technology,China(171005-Z)
文摘Thermodynamic optimization of the binary rare earth alloy(Cee La, Cee Pr, Cee Nd and Lae Nd) systems was performed in this work through the CALPHAD method based on the critical evaluation of all available phase diagram and thermodynamic data reported in the literature. During the thermodynamic modeling, the solution phases including liquid, bcc, fcc and dhcp, were treated as the substitutional solution model. Thermodynamic parameters of the stable phases in the Cee La, Cee Pr, Cee Nd and Lae Nd binary systems are obtained finally and would be used directly to develop the thermodynamic database of the multi-component Nde Fee B-based alloys, which is indispensable for designing alloy compositions and processes of Nde Fee B permanent magnets with highly abundant rare earth metals.
基金Project supported by the National Natural Science Foundation of China(51404035)Beijing Nova program(Z161100004916108)
文摘In order to study the aqueous stability of rare earth and thorium elements and the reaction mechanism of hydrochloric acid leaching of roasted bastnaesite,Eh-pH diagrams for La-,Nd-,Ce-,Th-（Cl）-（F）-H2 O systems at 20 ℃ were depicted using HSC Chemistry 6.0 software. Eh-pH diagrams of La-, Ce-,Nd-and Th-Cl-H2 O systems show that trivalent rare earth would be leached into solution by adjusting the acidity of the leaching solution, while tetravalent cerium and thorium would be remained in the leaching residue. And in the case that the pH value of the leaching solution is lower than 2, tetravalent cerium would be partially reduced by chlorine ions（Cl^-）, which is well agreed with the industrial production. It can be inferred from Eh-pH diagrams for the systems La-, Nd-,Ce-, Th-F-H2 O that the leached trivalent rare earth ions（RE^（3＋）） and tetravalent thorium ions（Th^（4＋）） are preferentially combined with fluorine ions（F） to form sediment during non-reductive acid leaching of roasted bastnaesite. However,when controlling the pH value of the leaching solution below 0, fluorine and tetravalent cerium in the roasted bastnaesite would be leached out in the form of soluble [CeF3]~＋ complex. That means the precipitation of REF3 and ThF4·2.5 H2 O can be avoided in the leaching step. According to Eh-pH diagrams for the system Ce-F-Cl-H2 O, [CeF3]~＋ in the leaching solution would be reduced to CeF3 precipitate in the presence of Cl^-, that is to say, tetravalent cerium and fluorine would be firstly leached out to form[CeF3]~＋,which would then be reduced to CeF3 precipitate by Cl^-in the hydrochloric acid leaching process of roasted bastnaesite.
基金Project supported by the Foundation of Natural Science of Anhui Province (00046509) and Foundation of Natural Science of Anhui Education Committee (2000j1090)
文摘From the measured phase equilibria data and experimental thermochemical properties, the TmCl_3-ACl (A=Na, K, Rb, Cs) phase diagrams were optimized and calculated using the CALPHAD technique. For describing the Gibbs energies of the liquid phase in these systems, the new modified quasichemical model in the pair-approximation for short-range ordering was used. A set of thermodynamic functions was optimized and gotten based on an interactive computer-assisted analysis. The calculated phase diagrams and thermodynamic data are self-consistent.
基金Key Project Foundation of Natural Science of Anhui Education Committee (KJ2008A083)
文摘YbCl3-MCl （M = Na, K, Rb, Cs） systems were optimized and calculated using the CALPHAD （CALculation of PHAse Diagram） technique. The modified quasi-chemical model in the pair-approximation for short-range ordering was used to describe the Gibbs energies of liquid phase in the systems. On the basis of the measured phase diagram data and experimental thermodynamic properties, a series of thermodynamic functions were optimized and calculated through an interactive computer-assisted analysis. Furthermore, some reasonable discussions on the thermodynamic parameters for these strong interaction binary systems were carded out. The results showed that the optimized parameters and experimental data are thermodynamically self-consistent.
基金Projects supported by the National Natural Science Foundation of China (59434080) Foundation of Natural Science of AnhuiProvince (00046509)+1 种基金 Foundation of Natural Science of Anhui Education Committee (2000j1090) and Youth Foundation of Anhui Normal
文摘By using CALPHAD (Calculation of Phase Diagram) technique the optimization and calculation of the binary systems of TbCl_3-ACl (A= Li, Na, K, Rb, Cs) were carried out. For describing the Gibbs free energy of liquid phase in these systems the new modified quasichemical model in the pair-approximation for short-range ordering was used. From measured phase equilibria data and experimental integral properties the TbCl_3-ACl phase diagrams were optimized and calculated. A set of thermodynamic functions was optimized based on an interactive computer-assisted analysis. The calculated phase diagrams and thermodynamic data are self-consistent.
文摘With the aid of 3-dimensional topological analysis methodology,relationships among phage regions on the isothermal section of the Nd-Fe-B phase diagram at 1000℃ and those on vertical sections of the Pr-Fe-B phase diagram passing through Pr_2 Fe_(14)B point have been re-discussed and modified.
文摘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.
文摘Work has been done in preparing ternary diffusion couple containing one rare earth element.Though rare earth is highly reactive,we have successfully prepared two ternary diffusion couples containing yttrium by means of special technique.By using electron microprobe analysis(EMPA),the two isothermal sections of Y-Zr-Hf and Y-Zr-Nb ternary systems at 1273K have been determined.The section of Y-Zr-Hf system consists of three one-phase regions,three two-phase regions and one three-phase region.And that of Y-Zr-Nb system consists of two one-phase regions and one two-phase region.The effeet of some factors on EMP measuring ac- curacy was also discussed.
基金Project Supported by National Natural Science Foundation of China
文摘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.
文摘Based on the assessment and optimization of nine experimental sub-binary phase diagramsand thermodynamic data (RECl3-LiCl, RECl3-CaCl2 and CaCl2-LiCl), four phase diagrams of theRECl3-CaCl2-LiCl systems are calculated and brieflly discussed.
文摘Phase equilibria of the R-Fe-Co pseudoternary system with R≤33.3%(mole fraction, R=Sm 0.5Dy 0.5) were determined in an isothermal section at 1 073 K and a vertical section of RFe 2-RCo 2 by using OM, X-ray diffractometer, EPMA DTA techniques. There are seven intermetallic phases: (Sm, Dy)(Fe, Co) 2, (Sm, Dy)(Fe, Co) 3, (Sm, Dy) 6(Fe, Co) 23, (Sm, Dy) 2(Fe, Co) 7, (Sm, Dy)(Fe, Co) 5, Th 2Ni 17-type and Th 2Zn 17-type (Sm, Dy) 2(Fe, Co) 17. The (Sm, Dy) 6(Fe, Co) 23 phase dissolves 36% Co(mole fraction) at 1 073 K. However, the (Sm, Dy) 2(Fe, Co) 7 phase in R 2(Fe 1-xCo x) 7 alloys dissolves about 19% Fe(mole fraction) at 1 073 K.
