Raoultian activity coefficients γ0c of C in infinitely dilute Fe-C binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations Nc of C in Fe-C binar...Raoultian activity coefficients γ0c of C in infinitely dilute Fe-C binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations Nc of C in Fe-C binary melts by the developed AMCT-Ni model based on the atom-molecule coexistence theory （AMCT）. The obtained expression of γ0c by the developed AMCT-Ni model has been evaluated to be accurate based on the reported ones from the literature. Meanwhile, three activity coefficients γc,f%,c, andfH,c of C coupled with activity aR,C or a%,c or aH,c have been obtained by the developed AMCT-Ni model and assessed through comparing with the predicted ones by other models from the literature. The first-order activity interaction coefficients ec, ec, and hcc related to γc f%,c, and fH,c are also determined and assessed in comparison with the reported ones from the literature. Furthermore, the integral molar mixing thermodynamic functions such as AmixHm,Fe-C, △mix-Sm,Fe-C, and △mixGm,Fe-C of Fe-C binary melts over a temperature range from 1833 to 1973 K have been determined and evaluated to be valid based on the determined ones from the literature.展开更多
The reaction abilities of structural units in Fe-C binary melts over a temperature range above the liquidus lines have been evaluated by a thermodynamic model for calculating the mass action concentrations Ni of struc...The reaction abilities of structural units in Fe-C binary melts over a temperature range above the liquidus lines have been evaluated by a thermodynamic model for calculating the mass action concentrations Ni of structural units in Fe-C binary melts based on the atom-molecule coexistence theory （AMCT）, i.e., the AMCT-N/model, through comparing with the predicted activities aR.i of both C and Fe by 14 collected models from the literature at four temperatures of 1833, 1873, 1923, and 1973 K. Furthermore, the Raoultian activity coefficient γC0 of in infinitely dilute Fe-C binary melts and the standard molar Gibbs free energy change △solG%m,Cdis（1）→[C]W[C]=1.0 of dissolved liquid C for forming w[C] as 1.0 in Fe-C binary melts referred to 1 mass% of C as reference state have also been determined to be valid. The determined activity coefficient In γC of C and activity coefficient In TEe of Fe including temperature effect for Fe-C binary melts can be described by a quadratic polynomial function and a cubic polynomial function, respectively.展开更多
In order to further verify the accuracy and feasibility of the calculated mass action concentrations Ni of Al and Fe by the developed atom and molecule coexistence theory(AMCT)model,i.e.,AMCT-N,model,for representing ...In order to further verify the accuracy and feasibility of the calculated mass action concentrations Ni of Al and Fe by the developed atom and molecule coexistence theory(AMCT)model,i.e.,AMCT-N,model,for representing activities aR,i of Al and Fe in Fe-Al binary melts reported in the first part of the serial studies,the molar mixing thermodynamic functions of Fe-Al binary melts over a temperature range from 1823 to 1973 K have been calculated based on Ni of Al and Fe as well as the effect of temperature on activity coefficients 7,of Al and Fe as■lnγj/■T=■ln(Ni/xi)/dT by the developed AMCTN-Ni model,where T is absolute temperature and.v,is the mole fraction of element i or compound i in metallic melts.The reported molar mixing thermodynamic functions of Fe-Al binary melts as well as the reported excess molar mixing thermodynamic functions of Fe-Al binary melts relative to ideal solution as a basis from the available literatures have been critically assessed and applied as criteria to verify the developed AMCT-Al,model.The effect of changing temperature onγi of Al and Fe,i.e.,activity coefficient gradients■lnγAl/■T and■lnγFe/■T,which are two indispensable parameters to calculate the molar mixing thermodynamic functions of Fe-Al binary melts,can be accurately obtained by the developed AMCT-Ni,model and expressed by the cubic polynomial functions.Not only the partial molar mixing thermodynamic functions of Al and Fe in Fe-Al binary melts but also the integral molar mixing thermodynamic functions of Fe-Al binary melts can be accurately calculated by the developed AMCT-Al,model.Furthermore,the excess partial and integral molar mixing thermodynamic functions of Fe-Al binary melts relative to ideal solution as a basis can also be precisely calculated by the developed AMCT-Ni,model.展开更多
The present study investigated the vaporization kinetics of MgCl_2,CaCl_2 and their binary melts in a fluidized bed at1073-1273 K,and developed a vaporization model for the binary melts to explore the possibility of a...The present study investigated the vaporization kinetics of MgCl_2,CaCl_2 and their binary melts in a fluidized bed at1073-1273 K,and developed a vaporization model for the binary melts to explore the possibility of achieving enhanced vaporization rate for the feedstock containing CaO greater than 0.2 wt%.The vaporization rate constant of MgCl_2 is more than seven times than that of CaCl_2 at 1273 K.The vaporization rate of the binary melt was significantly affected by the composition,a small quantity of CaCl_2 can remarkably deteriorate the overall vaporization rate.Experimental results coincide well with the numerical simulation by the vaporization model which regards the evolution of vaporization rate with melts composition.A correlation between the necessary operation temperature and the CaO/(CaO + MgO) of the feedstock was proposed.Predictions reveal that a similar vaporization rate for 0.2 wt%-0.4 wt%CaO content feedstock with 0.2 wt%could be achieved at lower than 1365 K.展开更多
文摘Raoultian activity coefficients γ0c of C in infinitely dilute Fe-C binary melts at temperatures of 1833, 1873, 1923, and 1973 K have been determined from the converted mass action concentrations Nc of C in Fe-C binary melts by the developed AMCT-Ni model based on the atom-molecule coexistence theory （AMCT）. The obtained expression of γ0c by the developed AMCT-Ni model has been evaluated to be accurate based on the reported ones from the literature. Meanwhile, three activity coefficients γc,f%,c, andfH,c of C coupled with activity aR,C or a%,c or aH,c have been obtained by the developed AMCT-Ni model and assessed through comparing with the predicted ones by other models from the literature. The first-order activity interaction coefficients ec, ec, and hcc related to γc f%,c, and fH,c are also determined and assessed in comparison with the reported ones from the literature. Furthermore, the integral molar mixing thermodynamic functions such as AmixHm,Fe-C, △mix-Sm,Fe-C, and △mixGm,Fe-C of Fe-C binary melts over a temperature range from 1833 to 1973 K have been determined and evaluated to be valid based on the determined ones from the literature.
基金This work is supported by the Beijing Natural Science Foundation （Grant No. 2182069） and the National Natural Science Foundation of China （Grant No. 51174186）.
文摘The reaction abilities of structural units in Fe-C binary melts over a temperature range above the liquidus lines have been evaluated by a thermodynamic model for calculating the mass action concentrations Ni of structural units in Fe-C binary melts based on the atom-molecule coexistence theory （AMCT）, i.e., the AMCT-N/model, through comparing with the predicted activities aR.i of both C and Fe by 14 collected models from the literature at four temperatures of 1833, 1873, 1923, and 1973 K. Furthermore, the Raoultian activity coefficient γC0 of in infinitely dilute Fe-C binary melts and the standard molar Gibbs free energy change △solG%m,Cdis（1）→[C]W[C]=1.0 of dissolved liquid C for forming w[C] as 1.0 in Fe-C binary melts referred to 1 mass% of C as reference state have also been determined to be valid. The determined activity coefficient In γC of C and activity coefficient In TEe of Fe including temperature effect for Fe-C binary melts can be described by a quadratic polynomial function and a cubic polynomial function, respectively.
基金This work is supported by the Beijing Natural Science Foundation(Grant No.2182069)the National Natural Science Foundation of China(Grant No.51174186).
文摘In order to further verify the accuracy and feasibility of the calculated mass action concentrations Ni of Al and Fe by the developed atom and molecule coexistence theory(AMCT)model,i.e.,AMCT-N,model,for representing activities aR,i of Al and Fe in Fe-Al binary melts reported in the first part of the serial studies,the molar mixing thermodynamic functions of Fe-Al binary melts over a temperature range from 1823 to 1973 K have been calculated based on Ni of Al and Fe as well as the effect of temperature on activity coefficients 7,of Al and Fe as■lnγj/■T=■ln(Ni/xi)/dT by the developed AMCTN-Ni model,where T is absolute temperature and.v,is the mole fraction of element i or compound i in metallic melts.The reported molar mixing thermodynamic functions of Fe-Al binary melts as well as the reported excess molar mixing thermodynamic functions of Fe-Al binary melts relative to ideal solution as a basis from the available literatures have been critically assessed and applied as criteria to verify the developed AMCT-Al,model.The effect of changing temperature onγi of Al and Fe,i.e.,activity coefficient gradients■lnγAl/■T and■lnγFe/■T,which are two indispensable parameters to calculate the molar mixing thermodynamic functions of Fe-Al binary melts,can be accurately obtained by the developed AMCT-Ni,model and expressed by the cubic polynomial functions.Not only the partial molar mixing thermodynamic functions of Al and Fe in Fe-Al binary melts but also the integral molar mixing thermodynamic functions of Fe-Al binary melts can be accurately calculated by the developed AMCT-Al,model.Furthermore,the excess partial and integral molar mixing thermodynamic functions of Fe-Al binary melts relative to ideal solution as a basis can also be precisely calculated by the developed AMCT-Ni,model.
基金Supported by the National Natural Science Foundation of China(NSFC)Distinguished Young Scholar project(No.21325628)
文摘The present study investigated the vaporization kinetics of MgCl_2,CaCl_2 and their binary melts in a fluidized bed at1073-1273 K,and developed a vaporization model for the binary melts to explore the possibility of achieving enhanced vaporization rate for the feedstock containing CaO greater than 0.2 wt%.The vaporization rate constant of MgCl_2 is more than seven times than that of CaCl_2 at 1273 K.The vaporization rate of the binary melt was significantly affected by the composition,a small quantity of CaCl_2 can remarkably deteriorate the overall vaporization rate.Experimental results coincide well with the numerical simulation by the vaporization model which regards the evolution of vaporization rate with melts composition.A correlation between the necessary operation temperature and the CaO/(CaO + MgO) of the feedstock was proposed.Predictions reveal that a similar vaporization rate for 0.2 wt%-0.4 wt%CaO content feedstock with 0.2 wt%could be achieved at lower than 1365 K.
