采用CALPHAD(CALculation of PHAse Diagram)方法,对Mg-Er二元体系重新进行了热力学评估。用Redlich-Kister模型对溶体相(Liquid,HCP_A3和BCC_A2)进行描述。金属间化合物Mg_(24)Er_5和Mg_2Er存在一定的成分区间,并分别用双亚点阵模型表...采用CALPHAD(CALculation of PHAse Diagram)方法,对Mg-Er二元体系重新进行了热力学评估。用Redlich-Kister模型对溶体相(Liquid,HCP_A3和BCC_A2)进行描述。金属间化合物Mg_(24)Er_5和Mg_2Er存在一定的成分区间,并分别用双亚点阵模型表示:Mg_(24)(Mg, Er)_5和(Mg, Er)_2(Mg, Er)_1。化合物MgEr的成分区间较窄,作为化学计量化合物处理。基于文献评估的实验数据,获得一套自恰的Mg-Er二元体系的热力学参数。展开更多
Thermodynamic description of ZrO2-BaO system was developed using the available experimental information. Special attention was paid to the modelling of the perovskite phase BaZrO3 by a temperature-dependent polynomial...Thermodynamic description of ZrO2-BaO system was developed using the available experimental information. Special attention was paid to the modelling of the perovskite phase BaZrO3 by a temperature-dependent polynomial to fit the experimental thermodynamic properties. The liquid phases, CSS (cubic ZrO2 solid solution) and TSS (tetragonal ZrO2 solid solution) were modelled with Redlich-Kister formula. The compounds Ba2ZrO4 and Ba3Zr2O7 were treated as stoichiometric phases and the BaOSS and MSS (halite BaO and monoclinic ZrO2 solid solutions) were treated as pure compounds. Comparisons between the calculated and the measured phase diagram as well as the thermodynamic quantities indicate that the most reliable experimental information is satisfactorily accounted for by the present thermodynamic calculation.展开更多
The effect of two dissolved inorganic salts,cadmium chloride CdCl2 and ammonium chloride NH4Cl,on the excess enthalpy of mixing(HE) of the binary system methanol + benzene measured at 303.15 K using an iso-thermal dis...The effect of two dissolved inorganic salts,cadmium chloride CdCl2 and ammonium chloride NH4Cl,on the excess enthalpy of mixing(HE) of the binary system methanol + benzene measured at 303.15 K using an iso-thermal displacement calorimeter with vapor space is investigated in the present work. Compared to the salt-free system,a decreasing trend in the endothermicity of HE values is significant with the addition of CdCl2 salt but the decrease in the HE values is insignificantly smaller with the addition of NH4Cl salt. The experimental values of the enthalpy of mixing are fitted into a Redlich-Kister equation and the deviations in the values and the parameters are reported. The importance of the solute-solvent interactions and the solvent-solvent interactions are demonstrated from the increasing excess enthalpy of mixing values in the positive direction with the increase of salt concentration.展开更多
There is a close relation between the characteristics of products and the chemical composition control of inclusions in steelmaking process. Therefore, it is very important for a warranty of product’s characteristics...There is a close relation between the characteristics of products and the chemical composition control of inclusions in steelmaking process. Therefore, it is very important for a warranty of product’s characteristics to improve inclusion quality resulting in defective products. In the present work, the control technique of inclusions’ chemical composition is discussed thermodynamically based on the Redlich-Kister type polynomial to metallic solution and regular solution model to molten oxide solution. It is very effective for the precise chemical composition control of oxides to determine the concentration of deoxidizers based on the thermodynamic relation among dissolved deoxidizers and oxygen, because it is known that oxide inclusions are equilibrated with them in molten steel in the steel making process. High alloy steel production process was focused in the present work.展开更多
Complex permittivity spectra of binary mixtures of varying concentrations of β-picoline and Methanol(MeOH)have been obtained using time domain reflectometry(TDR)technique over frequency range 10 MHz to 25 GHz at 283....Complex permittivity spectra of binary mixtures of varying concentrations of β-picoline and Methanol(MeOH)have been obtained using time domain reflectometry(TDR)technique over frequency range 10 MHz to 25 GHz at 283.15,288.15,293.15 and 298.15K temperatures.The dielectric relaxation parameters namely static permittivity(ε),high frequency limit permittivity(ε∞1)and the relaxation time(τ)were determined by fiting complex permittivity data to the single Debye/Cole-Davidson model.Complex nonlinear least square(CNLS)fiting procedure was carried out using LEVMW software.The excess permittivity(ε_(0)^(E))and the excess inverse relaxation time(1/τ)^(E) which contain information regarding molecular structure and interaction between polar-polar liqids were also determined.From the experimental data,parameters such as effective Kirkwood correlation factor(geff),Bruggeman factor(fB)and some thermo dynamical parameters have been calculated.Excess parameters were fitted to the Redlich-Kister polynomial equation.The values of static permittivity and relaxation time increase nonlinearly with increase in the mol-fraction of MeOH at all temperatures.The values of excess static permittivity(ε_(0)^(E))and the excess inverse relaxation time(1/τ)^(E) are negative for the studied β-picoline MeOH system at all temperatures.展开更多
Static permittivity(ε),refractive index(n)and density(ρ)of binary mixtures of ethylene glycol mono phenyl ether(EGMPE)with 1-butanol(1-BuOH)over the entire range of mole fraction and at temperatures(T=303:15,313.15 ...Static permittivity(ε),refractive index(n)and density(ρ)of binary mixtures of ethylene glycol mono phenyl ether(EGMPE)with 1-butanol(1-BuOH)over the entire range of mole fraction and at temperatures(T=303:15,313.15 and 323.15 K)have been measured.From the experimental data,parameters such as excess static permittivity(ε^(E)),excess permittivity at optical frequency(ε^(E)_(∞)),effective Kirkwood correlation factor(g^(eff)),corrective Kirkwood correlation factor(g^(f))and Bruggeman factor(f^(b))have been calculated to obtain qualitative and quantitative information about the complex formation through H-bond in binary system.In order to predict the static permittivity of polar–polar binary mixtures six mixing rules were applied and for refractive index five mixing rule were applied.Experimental results of permittivity(ε)and refractive index(n)are compared with those obtained from theoretical calculations.Excess parameters were fitted to the Redlich–Kister type polynomial equation.展开更多
基金Project(33354) supported by the Natural Science Foundation of Guangdong Province, China
文摘Thermodynamic description of ZrO2-BaO system was developed using the available experimental information. Special attention was paid to the modelling of the perovskite phase BaZrO3 by a temperature-dependent polynomial to fit the experimental thermodynamic properties. The liquid phases, CSS (cubic ZrO2 solid solution) and TSS (tetragonal ZrO2 solid solution) were modelled with Redlich-Kister formula. The compounds Ba2ZrO4 and Ba3Zr2O7 were treated as stoichiometric phases and the BaOSS and MSS (halite BaO and monoclinic ZrO2 solid solutions) were treated as pure compounds. Comparisons between the calculated and the measured phase diagram as well as the thermodynamic quantities indicate that the most reliable experimental information is satisfactorily accounted for by the present thermodynamic calculation.
基金Supported by Basic Science Research Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Education,Science and Technology(R11-2005-065)DST-SERC,New Delhi,India(100/IFD/9726/2009-2010 dated 2/2/2010)
文摘The effect of two dissolved inorganic salts,cadmium chloride CdCl2 and ammonium chloride NH4Cl,on the excess enthalpy of mixing(HE) of the binary system methanol + benzene measured at 303.15 K using an iso-thermal displacement calorimeter with vapor space is investigated in the present work. Compared to the salt-free system,a decreasing trend in the endothermicity of HE values is significant with the addition of CdCl2 salt but the decrease in the HE values is insignificantly smaller with the addition of NH4Cl salt. The experimental values of the enthalpy of mixing are fitted into a Redlich-Kister equation and the deviations in the values and the parameters are reported. The importance of the solute-solvent interactions and the solvent-solvent interactions are demonstrated from the increasing excess enthalpy of mixing values in the positive direction with the increase of salt concentration.
文摘There is a close relation between the characteristics of products and the chemical composition control of inclusions in steelmaking process. Therefore, it is very important for a warranty of product’s characteristics to improve inclusion quality resulting in defective products. In the present work, the control technique of inclusions’ chemical composition is discussed thermodynamically based on the Redlich-Kister type polynomial to metallic solution and regular solution model to molten oxide solution. It is very effective for the precise chemical composition control of oxides to determine the concentration of deoxidizers based on the thermodynamic relation among dissolved deoxidizers and oxygen, because it is known that oxide inclusions are equilibrated with them in molten steel in the steel making process. High alloy steel production process was focused in the present work.
基金Financial support provided by DRS-SAP program grant[No.F.530/10/DRS/2010(SAP-I)]have been utilized to carry out this work and it is gratefully acknowledged.
文摘Complex permittivity spectra of binary mixtures of varying concentrations of β-picoline and Methanol(MeOH)have been obtained using time domain reflectometry(TDR)technique over frequency range 10 MHz to 25 GHz at 283.15,288.15,293.15 and 298.15K temperatures.The dielectric relaxation parameters namely static permittivity(ε),high frequency limit permittivity(ε∞1)and the relaxation time(τ)were determined by fiting complex permittivity data to the single Debye/Cole-Davidson model.Complex nonlinear least square(CNLS)fiting procedure was carried out using LEVMW software.The excess permittivity(ε_(0)^(E))and the excess inverse relaxation time(1/τ)^(E) which contain information regarding molecular structure and interaction between polar-polar liqids were also determined.From the experimental data,parameters such as effective Kirkwood correlation factor(geff),Bruggeman factor(fB)and some thermo dynamical parameters have been calculated.Excess parameters were fitted to the Redlich-Kister polynomial equation.The values of static permittivity and relaxation time increase nonlinearly with increase in the mol-fraction of MeOH at all temperatures.The values of excess static permittivity(ε_(0)^(E))and the excess inverse relaxation time(1/τ)^(E) are negative for the studied β-picoline MeOH system at all temperatures.
基金Experimental facilities developed using financial assistance provided by Department of Sciences and Technology(DST),New Delhi through the DST-FIST(Level-I)project(SR/FST/PSI-001/2006)University Grant Commission(UGC),New Delhi through major research project(37-159/2009(SR))DRS-SAP program grant[No.F.530/10/DRS/2010(SAP-I)]have been utilized to carry out this work and it is gratefully acknowledged.
文摘Static permittivity(ε),refractive index(n)and density(ρ)of binary mixtures of ethylene glycol mono phenyl ether(EGMPE)with 1-butanol(1-BuOH)over the entire range of mole fraction and at temperatures(T=303:15,313.15 and 323.15 K)have been measured.From the experimental data,parameters such as excess static permittivity(ε^(E)),excess permittivity at optical frequency(ε^(E)_(∞)),effective Kirkwood correlation factor(g^(eff)),corrective Kirkwood correlation factor(g^(f))and Bruggeman factor(f^(b))have been calculated to obtain qualitative and quantitative information about the complex formation through H-bond in binary system.In order to predict the static permittivity of polar–polar binary mixtures six mixing rules were applied and for refractive index five mixing rule were applied.Experimental results of permittivity(ε)and refractive index(n)are compared with those obtained from theoretical calculations.Excess parameters were fitted to the Redlich–Kister type polynomial equation.