The relationship between the types of binary alloy phase diagramsof VIII and Ib group elements and the Men- deleev numbers wasdiscussed for the first time using the VIII and IB group elements assolvent metals (A) and ...The relationship between the types of binary alloy phase diagramsof VIII and Ib group elements and the Men- deleev numbers wasdiscussed for the first time using the VIII and IB group elements assolvent metals (A) and the other elements as solute metals (B),basesd on their alloy phase diagram types. The Mendeleev numbers ofthe solvent metals and the solute metals were expressed as M_A andM_B, respectively. A two-dimension map of M_A/M_B was drawn. It isindi- cated that there is an oblique line in the map, which dividesthe binary alloy phase diagram types of solvent metals into twosymmetry parts, the phase diagram types of the other elements withsolvent metals located at the above or down of the line respectively,while on the line, △M = 0.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
The databases of the FactSage thermodynamic computer system have been under development for 30 years. These databases contain critically evaluated and opthnized data for thousands of compounds and hundreds of multicom...The databases of the FactSage thermodynamic computer system have been under development for 30 years. These databases contain critically evaluated and opthnized data for thousands of compounds and hundreds of multicomponent solutions of solid and liquid metals, oxides, salts, sulfides, etc. The databases are automatically accessed by user-friendly software that calculates complex multiphase equilibria in large multicomponent systems for a wide variety of possible input/output constraints. The databases for solutions have been developed by critical evaluation/optimization of all available phase equilibrium and thermodynamic data. The databases contain parameters of models specifically developed for different types of solutions involving sublattices, ordering, etc. Through the optimization process, model parameters are found which reproduce all thermodynamic and phase equilibrium data within experimental error limits and permit extrapolation into regions of tempea'ature and composition where data are unavailable. The present article focuses on the databases for solid and liquid oxide phases involving 25 elements. A short review of the available databases is presented along with the models used for the molten slag and the solid solutions such as spinel, pyroxene, olivine, monoxide, corundum, etc. The critical evaluation/optimization procedure is outlined using examples from the Al203-SiO2-CaO-FeO-Fe2O3 system. Sample calculations are presented in which the oxide databases are used in conjunction with the FactSage databases for metallic and other phases. In particular, the use of the FactSage module for the calculation of multicomponent phase diagrams is illustrated.展开更多
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 charac...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.展开更多
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 conc...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.展开更多
New formulae for calculating activities and activity coefficients from binary phase diagrams containing solidsolution are presented. In the new formulae, a parameterθ is introduced. It seems be more efficient The app...New formulae for calculating activities and activity coefficients from binary phase diagrams containing solidsolution are presented. In the new formulae, a parameterθ is introduced. It seems be more efficient The application ofthese formulae to system Ag-Pb proves its efficiency.展开更多
The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design...The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams (CALPHAD) method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.展开更多
Mg-rare earth(RE)based systems provide several important commercial alloys and many alloy development opportunities for high strength applications,especially in aerospace and defense industries.The phase diagrams,micr...Mg-rare earth(RE)based systems provide several important commercial alloys and many alloy development opportunities for high strength applications,especially in aerospace and defense industries.The phase diagrams,microstructure,and strengthening mechanisms of these multicomponent systems are very complex and often not well understood in literature.We have calculated phase diagrams of important binary,ternary,and multicomponent RE-containing alloy systems,using CALPHAD(CALculation of PHAse Diagrams).Based on these phase diagrams,this paper offers a critical overview on phase equilibria and strengthening mechanisms in these alloy systems,including precipitation,long period stacking order(LPSO),and other intermetallic phases.This review also summarized several promising Mg-RE based cast alloys in comparison with commercial WE54 and WE43 alloys;and explored new strategies for future alloy development for high strength applications.It is pointed out that the combination of precipitation and LPSO phases can lead to superior strength and ductility in Mg-RE based cast alloys.The precipitates and LPSO phases can form a complex three-dimensional network that effectively impedes dislocation motion on the basal and non-basal planes.The LPSO phases can also prevent the coarsening of precipitates when they interact,thus providing good thermal stability at elevated temperatures.Future research is needed to determine how the combination of these two types of phases can be used in alloy design and industrial scale applications.展开更多
The three-phase behavior in the quaternary system of an alkyl (C8/10- or C12/14-) polyglucoside / 1-butanol / n-octane / water has been studied at 40 ℃ with the modified fishlike phase diagram, which is presented by ...The three-phase behavior in the quaternary system of an alkyl (C8/10- or C12/14-) polyglucoside / 1-butanol / n-octane / water has been studied at 40 ℃ with the modified fishlike phase diagram, which is presented by us for the first time. The mass fraction of 1-butanol in the hydrophile-lipophile balanced interfacial layer, AS, the coordinates of the start point B and the end point E of the phase diagram, and the solubilities of alkyl polyglucoside and 1-butanol in n-octane phase were calculated. The solubilization of the microemulsion was also discussed.展开更多
Hydrodynamic features of gas-solid generalized fluidization can be well expressed in the form of phase diagrams,which are important for engineering design.Mesoscale structure presents almost universally in generalized...Hydrodynamic features of gas-solid generalized fluidization can be well expressed in the form of phase diagrams,which are important for engineering design.Mesoscale structure presents almost universally in generalized fluidization and should be considered in such phase diagrams.However,current phase diagrams were mainly proposed for cocurrent upward flow according to experimental data or empirical correlations with homogeneous assumption.The energy-minimization multiscale(EMMS)model has shown the capability of capturing mesoscale structure in generalized fluidization,so EMMS-based phase diagrams of generalized fluidization were proposed in this article,which describe more reasonable global hydrodynamics over all regimes including the important engineering phenomena of choking and flooding.These characteristics were also found in discrete particle simulation under various conditions.For wider range of application,the typical hydrodynamic parameters of the phase diagrams were correlated to non-dimensional numbers reflecting the effects of material properties and operation conditions.This study thus shows a possible route to develop a unified phase diagram in the future.展开更多
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...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展开更多
A new method to calculate the activity of a stable compound in a binary phase diagram was presented and discussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium const...A new method to calculate the activity of a stable compound in a binary phase diagram was presented and discussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium constant can be calculated through the mass action principle after the activities of two pure components were computed respectively. Based on that, the activity of a stable compound can be easily obtained at last. The activity of the stable compound InSb is calculated in the In-Sb binary system by using this method. The result is well consistent with another calculation value.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
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 intermed...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.展开更多
A simple model, i.e. sodium di(2-ethylhexyl) sulfosuccinate (AOT) represented by one-head and two-tail beads tied together by a harmonic spring and water or isooctane by one bead, was put forward via Dissipative Parti...A simple model, i.e. sodium di(2-ethylhexyl) sulfosuccinate (AOT) represented by one-head and two-tail beads tied together by a harmonic spring and water or isooctane by one bead, was put forward via Dissipative Particles Dynamics (DPD) simulation method. Using the changes of interfacial tension between water and oil phase, a ternary phase diagram of AOT/water/isooctane system was drawn. From the simulation, one conclusion is shown that DPD simulation can be considered as an adjunct to experiments.展开更多
A set of correct expressions for calculating activities and activity coefficients from binary phase diagrams involving intermediate compounds are presented in this paper by the introduction of a correct parameter θ. ...A set of correct expressions for calculating activities and activity coefficients from binary phase diagrams involving intermediate compounds are presented in this paper by the introduction of a correct parameter θ. The application of these expressions to system Mg-Sn shows that they are quite feasible.展开更多
PrCl_3-NaCl-LiCl phase diagram has been constructed from the phase diagrams of its sub-binary systems and of six quasi-binary systems measured by DTA technique.It is found that this ternary system is composed of five ...PrCl_3-NaCl-LiCl phase diagram has been constructed from the phase diagrams of its sub-binary systems and of six quasi-binary systems measured by DTA technique.It is found that this ternary system is composed of five liquidus surfaces,seven second crystallization lines,two peritectic points and one eutectie point.The temperatures and compositions of invariant points are as follows:P_1(416℃,30.3 mol% NaCl,44.2 mol% LiCl,25.5 mol% PrCl_3);P_2(409℃,25.0 mol% NaCl,50.0 mol% LiCl,25.0 mol% PrCl_3);E(404℃,20.0 mol% NaCl,55.4 mol% LiCl,24.6 mol% PrCl_3).展开更多
The room temperature section and the 750℃ isothermal section of the Ag-Pd-Gd ternary phase diagram containing 0—25 at.-% Gd are constructed by X—ray diffraction analysis and optical microscopy.Each section consists...The room temperature section and the 750℃ isothermal section of the Ag-Pd-Gd ternary phase diagram containing 0—25 at.-% Gd are constructed by X—ray diffraction analysis and optical microscopy.Each section consists of 3 single phase regions,3 bi-phase regions and I tri-phase region respectively.展开更多
In this work we perform a theoretical calculation in order to reconstitute the (E-T) phase diagram of a chiral smectic liquid crystal in the vicinity of the SmA-SmCα* transition. This reconstruction is carried out...In this work we perform a theoretical calculation in order to reconstitute the (E-T) phase diagram of a chiral smectic liquid crystal in the vicinity of the SmA-SmCα* transition. This reconstruction is carried out on the basis of a thermo-dynamic calculation of the slope of the curve joining the SmC* domain and the unwound SmC*. An empiric correction of the mean field term of Landau De-Gennes development is necessary to accomplish this reconstruction. Thereafter, an experimental validation is performed to verify our calculations.展开更多
文摘The relationship between the types of binary alloy phase diagramsof VIII and Ib group elements and the Men- deleev numbers wasdiscussed for the first time using the VIII and IB group elements assolvent metals (A) and the other elements as solute metals (B),basesd on their alloy phase diagram types. The Mendeleev numbers ofthe solvent metals and the solute metals were expressed as M_A andM_B, respectively. A two-dimension map of M_A/M_B was drawn. It isindi- cated that there is an oblique line in the map, which dividesthe binary alloy phase diagram types of solvent metals into twosymmetry parts, the phase diagram types of the other elements withsolvent metals located at the above or down of the line respectively,while on the line, △M = 0.
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The databases of the FactSage thermodynamic computer system have been under development for 30 years. These databases contain critically evaluated and opthnized data for thousands of compounds and hundreds of multicomponent solutions of solid and liquid metals, oxides, salts, sulfides, etc. The databases are automatically accessed by user-friendly software that calculates complex multiphase equilibria in large multicomponent systems for a wide variety of possible input/output constraints. The databases for solutions have been developed by critical evaluation/optimization of all available phase equilibrium and thermodynamic data. The databases contain parameters of models specifically developed for different types of solutions involving sublattices, ordering, etc. Through the optimization process, model parameters are found which reproduce all thermodynamic and phase equilibrium data within experimental error limits and permit extrapolation into regions of tempea'ature and composition where data are unavailable. The present article focuses on the databases for solid and liquid oxide phases involving 25 elements. A short review of the available databases is presented along with the models used for the molten slag and the solid solutions such as spinel, pyroxene, olivine, monoxide, corundum, etc. The critical evaluation/optimization procedure is outlined using examples from the Al203-SiO2-CaO-FeO-Fe2O3 system. Sample calculations are presented in which the oxide databases are used in conjunction with the FactSage databases for metallic and other phases. In particular, the use of the FactSage module for the calculation of multicomponent phase diagrams is illustrated.
基金financial support of the National Natural Science Foundation of China(U1407204,U1707602)the Yangtze Scholars and Innovative Research Team in University of Education of China+1 种基金the Innovative Research Team of Tianjin Municipal Education Commission(TD12-5004)Foundation of Tianjin Key Laboratory of Marine Resources and Chemistry(201602)。
文摘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.
基金financial support of the National Natural Science Foundation of China(U1707602,U1407204)Yangtze Scholars and Innovative Research Team in University of Education of China,the Innovative Research Team of Tianjin Municipal Education Commission(TD125004)。
文摘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.
文摘New formulae for calculating activities and activity coefficients from binary phase diagrams containing solidsolution are presented. In the new formulae, a parameterθ is introduced. It seems be more efficient The application ofthese formulae to system Ag-Pb proves its efficiency.
基金This study was financially supported by the National Natural Science Foundation of China and Chongqing Science and Technology Commission.
文摘The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams (CALPHAD) method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.
基金partially funded by the United States Army Research Laboratory (ARL)Terves LLC。
文摘Mg-rare earth(RE)based systems provide several important commercial alloys and many alloy development opportunities for high strength applications,especially in aerospace and defense industries.The phase diagrams,microstructure,and strengthening mechanisms of these multicomponent systems are very complex and often not well understood in literature.We have calculated phase diagrams of important binary,ternary,and multicomponent RE-containing alloy systems,using CALPHAD(CALculation of PHAse Diagrams).Based on these phase diagrams,this paper offers a critical overview on phase equilibria and strengthening mechanisms in these alloy systems,including precipitation,long period stacking order(LPSO),and other intermetallic phases.This review also summarized several promising Mg-RE based cast alloys in comparison with commercial WE54 and WE43 alloys;and explored new strategies for future alloy development for high strength applications.It is pointed out that the combination of precipitation and LPSO phases can lead to superior strength and ductility in Mg-RE based cast alloys.The precipitates and LPSO phases can form a complex three-dimensional network that effectively impedes dislocation motion on the basal and non-basal planes.The LPSO phases can also prevent the coarsening of precipitates when they interact,thus providing good thermal stability at elevated temperatures.Future research is needed to determine how the combination of these two types of phases can be used in alloy design and industrial scale applications.
文摘The three-phase behavior in the quaternary system of an alkyl (C8/10- or C12/14-) polyglucoside / 1-butanol / n-octane / water has been studied at 40 ℃ with the modified fishlike phase diagram, which is presented by us for the first time. The mass fraction of 1-butanol in the hydrophile-lipophile balanced interfacial layer, AS, the coordinates of the start point B and the end point E of the phase diagram, and the solubilities of alkyl polyglucoside and 1-butanol in n-octane phase were calculated. The solubilization of the microemulsion was also discussed.
基金financial supports from the Strategic Priority Research Program of the Chinese Academy of Sciences(XDA21040400)the Innovation Academy for Green manufacture,the Chinese Academy of Sciences(IAGM-2019-A03)the National Natural Science Foundation of China(91834303)。
文摘Hydrodynamic features of gas-solid generalized fluidization can be well expressed in the form of phase diagrams,which are important for engineering design.Mesoscale structure presents almost universally in generalized fluidization and should be considered in such phase diagrams.However,current phase diagrams were mainly proposed for cocurrent upward flow according to experimental data or empirical correlations with homogeneous assumption.The energy-minimization multiscale(EMMS)model has shown the capability of capturing mesoscale structure in generalized fluidization,so EMMS-based phase diagrams of generalized fluidization were proposed in this article,which describe more reasonable global hydrodynamics over all regimes including the important engineering phenomena of choking and flooding.These characteristics were also found in discrete particle simulation under various conditions.For wider range of application,the typical hydrodynamic parameters of the phase diagrams were correlated to non-dimensional numbers reflecting the effects of material properties and operation conditions.This study thus shows a possible route to develop a unified phase diagram in the future.
基金Financial supports from the National Natural Science Foundation of China (21276194 and 21306136)Key Laboratory of Salt Lake Resources and Chemistry at Chinese Academy Sciences (KLSLRC-KF-13-HX-2)Tianjin Key Laboratory of Marine Resources and Chemistry (201206)
文摘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
基金This work is financially supported by the National Natural Science Foundation of China (No. 50074036).
文摘A new method to calculate the activity of a stable compound in a binary phase diagram was presented and discussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium constant can be calculated through the mass action principle after the activities of two pure components were computed respectively. Based on that, the activity of a stable compound can be easily obtained at last. The activity of the stable compound InSb is calculated in the In-Sb binary system by using this method. The result is well consistent with another calculation value.
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.
文摘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.
文摘A simple model, i.e. sodium di(2-ethylhexyl) sulfosuccinate (AOT) represented by one-head and two-tail beads tied together by a harmonic spring and water or isooctane by one bead, was put forward via Dissipative Particles Dynamics (DPD) simulation method. Using the changes of interfacial tension between water and oil phase, a ternary phase diagram of AOT/water/isooctane system was drawn. From the simulation, one conclusion is shown that DPD simulation can be considered as an adjunct to experiments.
文摘A set of correct expressions for calculating activities and activity coefficients from binary phase diagrams involving intermediate compounds are presented in this paper by the introduction of a correct parameter θ. The application of these expressions to system Mg-Sn shows that they are quite feasible.
文摘PrCl_3-NaCl-LiCl phase diagram has been constructed from the phase diagrams of its sub-binary systems and of six quasi-binary systems measured by DTA technique.It is found that this ternary system is composed of five liquidus surfaces,seven second crystallization lines,two peritectic points and one eutectie point.The temperatures and compositions of invariant points are as follows:P_1(416℃,30.3 mol% NaCl,44.2 mol% LiCl,25.5 mol% PrCl_3);P_2(409℃,25.0 mol% NaCl,50.0 mol% LiCl,25.0 mol% PrCl_3);E(404℃,20.0 mol% NaCl,55.4 mol% LiCl,24.6 mol% PrCl_3).
文摘The room temperature section and the 750℃ isothermal section of the Ag-Pd-Gd ternary phase diagram containing 0—25 at.-% Gd are constructed by X—ray diffraction analysis and optical microscopy.Each section consists of 3 single phase regions,3 bi-phase regions and I tri-phase region respectively.
文摘In this work we perform a theoretical calculation in order to reconstitute the (E-T) phase diagram of a chiral smectic liquid crystal in the vicinity of the SmA-SmCα* transition. This reconstruction is carried out on the basis of a thermo-dynamic calculation of the slope of the curve joining the SmC* domain and the unwound SmC*. An empiric correction of the mean field term of Landau De-Gennes development is necessary to accomplish this reconstruction. Thereafter, an experimental validation is performed to verify our calculations.