The coexistence theory of slag structure and it's application to calculation of the oxidizing capabilities of slag melts is described. It is shown that the law of mass action can be widely applied to the calculati...The coexistence theory of slag structure and it's application to calculation of the oxidizing capabilities of slag melts is described. It is shown that the law of mass action can be widely applied to the calculation of oxidizing capabilities of slag melts in combination with the coexistence theory of slag structure.For slag melts containing basic oxides FeO and MnO, their oxidizing capabilities can be expressed by N Fe tO =N FeO +6N Fe 2O 3 , while for slag melts containing basic oxides CaO, MgO, etc., in addition to FeO and MnO, their oxidizing capabilities can be given as N Fe tO =N FeO +6N Fe 2O 3 +8N Fe 3O 4 .展开更多
It is shown by the the law of mass action in combination with the coexistence theory of slag structure that KMn n =NMno /(NFeo [%Mn] does not change with basicities and maintains constant at constant temperature; the...It is shown by the the law of mass action in combination with the coexistence theory of slag structure that KMn n =NMno /(NFeo [%Mn] does not change with basicities and maintains constant at constant temperature; the oxidizing capabilities of multicomponent slag systems containing CaO, MgO etc., can be expressed by NFe tO =NFeO + 6NFe2 O3 + 8NFe3O4; the desulfurizing capabilities of various basic oxides for multicomponent slag systems can be calculated by Ls=8(KCaSNCaO+KMgsNMgo +KFeSNFeO)∑n/[%O]; the dephosphorizing capabili- ties of CaO-MgO-FeO-FeO O3-P2 O5 as well as CaO-FeO-Fe2 O3-A12 O3-P2 O5 molten slags expressed respectively by Lpo=(%P2O5)/[P]2 = 141.94[%O]5∑nK00(1 + K5N2Cao + K6N3CaO + K7N4CaO + K8N2MgO + K9N3MgO + K10N3FeO + K11N4Feo); LPO=(%P2O5)/[P]2= 141.94[%O]5∑nK00(1 + K10N2CaO+ K11N3CaO+ K12N4CaO + K13N3FeO + K14N4FeO) have good agreement with practical values.展开更多
Based on the atomicity and molecularity as well as the consistency ofthermodynamic properties and activities of metallic melts with their structures, the coexistencetheory of metallic melts structure involving compoun...Based on the atomicity and molecularity as well as the consistency ofthermodynamic properties and activities of metallic melts with their structures, the coexistencetheory of metallic melts structure involving compound has been suggested. According to this theory,the calculating models of mass action concentrations for different binary metallic melts have beenformulated. The calculated mass action concentrations agree well with corresponding measuredactivities, which confirms that the suggested theory can reflect the structural characteristics ofmetallic melts involving compound and that the mass action law is widely applicable to this kind ofmetallic melts.展开更多
According to the mass action law and the coexistence theory of metallic melts, the mass action concentrations of Cu-Mg, Bi-Tl and Ni-Al melts involving compound formation have been calculated. The calculated results s...According to the mass action law and the coexistence theory of metallic melts, the mass action concentrations of Cu-Mg, Bi-Tl and Ni-Al melts involving compound formation have been calculated. The calculated results show that, except the ultimate case of pure element, when two elements are present in the melts, all structural units (atoms and molecules) without exception will be present in the melts, i.e., their concentrations may change from great to small, but they will not vanish into nothing, and only under such conditions, the calculated results both agree with practice and obey the law of mass action. In view of that over considerable wide composition range, the activities of both elements of the three solid binary alloys mentioned above have been measured, this seems in contradiction with the present relevant phase diagrams, in which the structural units are determined by composition range, so the latter needs further investigation and consideration.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
The thermodynamic equilibrium of deoxidation reactions between molten slag and steel was calculated using a slag-steel coupling thermodynamic model and the mass conservation model based on the ion-molecular coexistenc...The thermodynamic equilibrium of deoxidation reactions between molten slag and steel was calculated using a slag-steel coupling thermodynamic model and the mass conservation model based on the ion-molecular coexistence theory.The study focused on the effects of slag composition and deoxidizer type on the oxygen content of low alloy steel during the electroslag remelting(ESR)process.The measured and predicted values of the oxygen content in remelted ingots,and the contents of FeO and MnO in slags were compared and analyzed.Results show that the measured content of total oxygen has a certain correlation with the trend of dissolved oxygen predicted by the model when using Ca-Si alloys as deoxidizer,but it is not correlated with the trend of dissolved oxygen predicted by the model when using Al as deoxidizer.The deoxidation mechanisms of Ca-Si and Al are different.Ca-Si alloy directly reacts with FeO and MnO in slag to reduce the oxygen potential of slag,hence it can inhibit the transfer of oxygen from the slag to molten steel.While,when Al deoxidizer is used,the oxygen content in steel is mainly reduced through floating up the alumina inclusions.Compared to Al,utilizing Ca-Si alloy as a deoxidizer is more effective in reducing the oxygen content and the amount of inclusions in ESR ingot.展开更多
A thermochemical model based on the ion and molecule coexistence theory(IMCT)was developed to calculate thermodynamic data in the CaO-SiO_(2)-Al_(2)O_(3) slag system,considering the influential role of oxide activitie...A thermochemical model based on the ion and molecule coexistence theory(IMCT)was developed to calculate thermodynamic data in the CaO-SiO_(2)-Al_(2)O_(3) slag system,considering the influential role of oxide activities on the thermodynamic properties of slags.Using this model,iso-activity contours were obtained for oxide components CaO,SiO_(2) and Al2O3 in this system at temperatures of 1,873 K and 1,773 K.When compared with the IMCT model,it is found that the predicted activities of oxide components in the CaO-SiO_(2)-Al_(2)O_(3) system using the model developed in this study better matches experimental data from literature in terms of both trend and numerical value.Therefore,the model developed in this study can serve as a robust modeling tool for metallurgical processes,and the thermodynamic data predicted by this new model can be used to improve the metallurgical technology.展开更多
A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and veri...A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions,the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law.展开更多
According to the mass action law and the coexistence theory of slagstructure, the calculating models of mass action concentration for CaO-MgO-FeO-Fe_2O_3-SiO_2,CaO-MgO-MnO-FeO-Fe_2O_3-P_2O_5-SiO_2 and CaO-MgO-MnO-FeO-...According to the mass action law and the coexistence theory of slagstructure, the calculating models of mass action concentration for CaO-MgO-FeO-Fe_2O_3-SiO_2,CaO-MgO-MnO-FeO-Fe_2O_3-P_2O_5-SiO_2 and CaO-MgO-MnO-FeO-Fe_2O_3-Al_2O_3-P_2O_5-SiO_2 slag melts areformulated and sulphur distribution between the slag melts and liquid iron is treated. It is foundthat CaO, MnO and FeO promote desulphurization, while MgO is detrimental to desulphurization. Inaddition, the sulphur distribution coefficients between the slag melts and liquid iron andpresented.展开更多
Based on the phase diagrams and the coexistence theory of metallic melts structure involving compound formation, the cal- culating models of mass action concentrations for Mn-P and Fe-Mn-P melts have been formulated. ...Based on the phase diagrams and the coexistence theory of metallic melts structure involving compound formation, the cal- culating models of mass action concentrations for Mn-P and Fe-Mn-P melts have been formulated. The calculated mass action concen- trations agree well with the corresponding measured activities, this in turn shows that the deduced models can reflect the structural char- acteristics of the melts concerned and there isn't any saturation of phosphorus in both melts.展开更多
Based on the phase diagrams, measured activities and the annexationprinciple, calculating models of mass action concentrations for In-Bi-Cu and In-Sb-Cu melts havebeen formulated. Calculated results not only agree wel...Based on the phase diagrams, measured activities and the annexationprinciple, calculating models of mass action concentrations for In-Bi-Cu and In-Sb-Cu melts havebeen formulated. Calculated results not only agree well with practical values, but also obey themass action law, showing that the deduced model can reflect the structural reality of given meltasand that the annexation principles is applicable to these tow ternary metallic melts. So long asthere is one from three binary systems constituting the ternary melts, in which the activities ofone component exhibit positive deviation relative to Raoultian behavior, heterogeous meltsinevitably would form, so heterogeneous calculating model should be used to calculate their massaction concentrations. On the contrary, if all the binary melts are homogeneous and their activitiesexhibit negative deviation with respect to the Raoult's law, then the ternary melts formed fromthem will certainly be homogeneous, hence single phase model should be applied.展开更多
After the investigation on the thermodynamic properties and mixingthermodynamic parameters of binary homogeneous metallic melts involving compound, peritectic as wellas solid solution, it was found that the equations ...After the investigation on the thermodynamic properties and mixingthermodynamic parameters of binary homogeneous metallic melts involving compound, peritectic as wellas solid solution, it was found that the equations of mixing free energy DELTA G^m and excess freeenergy DELTA G^(XS) of them can he expressed by the following equations: DELTA G^m = SIGMA x [SIGMAN_i DELTA G_I^(THETA) + RT(SIGMA N_j ln N_j + SIGMA N_i ln N_i )] and DELTA G^(XS) = DELTA G^m -RT(a ln a + b ln b), respectively.展开更多
Based on the coexistence theory of metallic melts involving compound formation, the theoretical calculation equations of mixing thermodynamic parameters are established by giving up some empirical parameters in the as...Based on the coexistence theory of metallic melts involving compound formation, the theoretical calculation equations of mixing thermodynamic parameters are established by giving up some empirical parameters in the associated solution model. For Fe-Al, Mn-Al and Ni-Al, the calculated results agree well with the experimental values, testifying that these equations can exactly embody mixing thermodynamic characteristics of these melts.展开更多
Based on the phase diagrams, reliable reference experimental data and the coexistence theory of metallic melts structure involving compound formation, calculating models of mass action concentrations for Fe-P and Cr-...Based on the phase diagrams, reliable reference experimental data and the coexistence theory of metallic melts structure involving compound formation, calculating models of mass action concentrations for Fe-P and Cr-P melts have been formulated. At the same time, some of their thermodynamic parameters have been optimized. The calculated results not only agree well with the measuredvalues, but also obey the mass action law rigorously, this in turn shows that these models can reflect the structural characteristics of corresponding melts.展开更多
According to the results of research on the thermodynamic propelles of Fe-Cr, Fe-P and Cr-P melts, the measured achvihes of Fe-Cr-P melts from reference sources as well as the coexistence theory of metallic melts str...According to the results of research on the thermodynamic propelles of Fe-Cr, Fe-P and Cr-P melts, the measured achvihes of Fe-Cr-P melts from reference sources as well as the coexistence theory of metallic melts structure involving compound formation, a calculating model of the mass action concentrations for Fe-Cr-P melts has been formulated and some of its thermodynamic parameters have been optimized. The calculated mass action concentrations agree with the measured achvities, which shows that this model can reflect the structural reality of Fe-Cr-P melts.展开更多
Based on the phase diagrams and the mass action law in combination with the coexistence theory of metallic melts structure, the calculation model of mass action concentration for Mg-Al, Sr-Al and Ba-Al was built, and ...Based on the phase diagrams and the mass action law in combination with the coexistence theory of metallic melts structure, the calculation model of mass action concentration for Mg-Al, Sr-Al and Ba-Al was built, and their thermodynamic parameters were determined. The agreement between calculated and measured results shows that the model and the determined thermodynamic parameters can reflect the structural characteristics of relevant melts. However, the fact that the thermodynamic parameters from literature don ′t give the value agree with the measured result may be due to unconformity of these parameters to real chemical reactions in metallic melts.展开更多
According to the law of mass action and the coexistence theory of slag structure, the distribution of manganese between MnO FeO SiO 2 and MgO MnO FeO SiO 2 slag melts as well as liquid iron was analyzed. It is shown t...According to the law of mass action and the coexistence theory of slag structure, the distribution of manganese between MnO FeO SiO 2 and MgO MnO FeO SiO 2 slag melts as well as liquid iron was analyzed. It is shown that K ′ Mn and K MnO are only dependent on temperature and don’t change with basicities and compositions of slag melts. So the distribution of manganese between the above mentioned slag melts and molten iron obeys the law of mass action. But analysis of experimental results from other sources shows that K ′ Mn and K MnO really change with basicities of slag, which is probably arisen from not approaching equilibrium under low basicity slag melts.展开更多
From the viewpoints of coexistence theory of the slag structure, the investigation on the structural units of MnO-SiO2 system and the chemical reactions between them has been carried out. The relationships between the...From the viewpoints of coexistence theory of the slag structure, the investigation on the structural units of MnO-SiO2 system and the chemical reactions between them has been carried out. The relationships between the physical propenies of the slag and the mass action concentrations of its have been set up at certain temperature and slag composition range, which based on the thermodynamic data of the chemtical reactions between the units and the method of linear regression. The calculated data from the model are in good agreement with the measured results. These calculated values are more accurate and systematic than those from other expirical and semi-expirical formulas used at present.展开更多
According to phase diagrams, measured activities as well as the coexistence theory of motallic melts structure involving compound formation, the calculating models of mass action concentrations for Ni-Mn and Co-Mn me...According to phase diagrams, measured activities as well as the coexistence theory of motallic melts structure involving compound formation, the calculating models of mass action concentrations for Ni-Mn and Co-Mn melts are formulated and their thermodynamic parameters are optimized. As a result, the calculated mass action concentrations agree well with the corresponding measured activities, showing that these models can reflect the structural characteristics of both Ni-Mn and Co-Mn melts.展开更多
Based on the phase diagram, the coexistence theory of the metallic melt structure involving compoundformation and the regularity of melts containing saturated phase, a calculating model of mass action concentrationsfo...Based on the phase diagram, the coexistence theory of the metallic melt structure involving compoundformation and the regularity of melts containing saturated phase, a calculating model of mass action concentrationsfor Mn-C melts was formulated. According to the activities (or activity coefficients AM. and γc.), obtained by theUnified Interaction Parameter Model (UIPM), the thermodynamic parameters G and G at higher temperatures (1628~1873 K) were optimized by the repeated try and error method. It is testified that G G(873~1273 K) and G (298~1623 K), obtained at lower temperatures, can also be used at the above-mentionedhigher temperatures. The calculated N. and N agree well with ac. and ac obtained by UIPM. This result showsthat the deduced model can reflect the structural reality of Mn-C melts.展开更多
文摘The coexistence theory of slag structure and it's application to calculation of the oxidizing capabilities of slag melts is described. It is shown that the law of mass action can be widely applied to the calculation of oxidizing capabilities of slag melts in combination with the coexistence theory of slag structure.For slag melts containing basic oxides FeO and MnO, their oxidizing capabilities can be expressed by N Fe tO =N FeO +6N Fe 2O 3 , while for slag melts containing basic oxides CaO, MgO, etc., in addition to FeO and MnO, their oxidizing capabilities can be given as N Fe tO =N FeO +6N Fe 2O 3 +8N Fe 3O 4 .
文摘It is shown by the the law of mass action in combination with the coexistence theory of slag structure that KMn n =NMno /(NFeo [%Mn] does not change with basicities and maintains constant at constant temperature; the oxidizing capabilities of multicomponent slag systems containing CaO, MgO etc., can be expressed by NFe tO =NFeO + 6NFe2 O3 + 8NFe3O4; the desulfurizing capabilities of various basic oxides for multicomponent slag systems can be calculated by Ls=8(KCaSNCaO+KMgsNMgo +KFeSNFeO)∑n/[%O]; the dephosphorizing capabili- ties of CaO-MgO-FeO-FeO O3-P2 O5 as well as CaO-FeO-Fe2 O3-A12 O3-P2 O5 molten slags expressed respectively by Lpo=(%P2O5)/[P]2 = 141.94[%O]5∑nK00(1 + K5N2Cao + K6N3CaO + K7N4CaO + K8N2MgO + K9N3MgO + K10N3FeO + K11N4Feo); LPO=(%P2O5)/[P]2= 141.94[%O]5∑nK00(1 + K10N2CaO+ K11N3CaO+ K12N4CaO + K13N3FeO + K14N4FeO) have good agreement with practical values.
文摘Based on the atomicity and molecularity as well as the consistency ofthermodynamic properties and activities of metallic melts with their structures, the coexistencetheory of metallic melts structure involving compound has been suggested. According to this theory,the calculating models of mass action concentrations for different binary metallic melts have beenformulated. The calculated mass action concentrations agree well with corresponding measuredactivities, which confirms that the suggested theory can reflect the structural characteristics ofmetallic melts involving compound and that the mass action law is widely applicable to this kind ofmetallic melts.
文摘According to the mass action law and the coexistence theory of metallic melts, the mass action concentrations of Cu-Mg, Bi-Tl and Ni-Al melts involving compound formation have been calculated. The calculated results show that, except the ultimate case of pure element, when two elements are present in the melts, all structural units (atoms and molecules) without exception will be present in the melts, i.e., their concentrations may change from great to small, but they will not vanish into nothing, and only under such conditions, the calculated results both agree with practice and obey the law of mass action. In view of that over considerable wide composition range, the activities of both elements of the three solid binary alloys mentioned above have been measured, this seems in contradiction with the present relevant phase diagrams, in which the structural units are determined by composition range, so the latter needs further investigation and consideration.
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.
文摘The thermodynamic equilibrium of deoxidation reactions between molten slag and steel was calculated using a slag-steel coupling thermodynamic model and the mass conservation model based on the ion-molecular coexistence theory.The study focused on the effects of slag composition and deoxidizer type on the oxygen content of low alloy steel during the electroslag remelting(ESR)process.The measured and predicted values of the oxygen content in remelted ingots,and the contents of FeO and MnO in slags were compared and analyzed.Results show that the measured content of total oxygen has a certain correlation with the trend of dissolved oxygen predicted by the model when using Ca-Si alloys as deoxidizer,but it is not correlated with the trend of dissolved oxygen predicted by the model when using Al as deoxidizer.The deoxidation mechanisms of Ca-Si and Al are different.Ca-Si alloy directly reacts with FeO and MnO in slag to reduce the oxygen potential of slag,hence it can inhibit the transfer of oxygen from the slag to molten steel.While,when Al deoxidizer is used,the oxygen content in steel is mainly reduced through floating up the alumina inclusions.Compared to Al,utilizing Ca-Si alloy as a deoxidizer is more effective in reducing the oxygen content and the amount of inclusions in ESR ingot.
基金This work was financially supported by the National Natural Science Foundation of China(NSFC 52175352).
文摘A thermochemical model based on the ion and molecule coexistence theory(IMCT)was developed to calculate thermodynamic data in the CaO-SiO_(2)-Al_(2)O_(3) slag system,considering the influential role of oxide activities on the thermodynamic properties of slags.Using this model,iso-activity contours were obtained for oxide components CaO,SiO_(2) and Al2O3 in this system at temperatures of 1,873 K and 1,773 K.When compared with the IMCT model,it is found that the predicted activities of oxide components in the CaO-SiO_(2)-Al_(2)O_(3) system using the model developed in this study better matches experimental data from literature in terms of both trend and numerical value.Therefore,the model developed in this study can serve as a robust modeling tool for metallurgical processes,and the thermodynamic data predicted by this new model can be used to improve the metallurgical technology.
文摘A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong electrolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions,the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also computed at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activity because they were obtained at different standard states and concentration units. The results show that the transformation coefficients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law.
文摘According to the mass action law and the coexistence theory of slagstructure, the calculating models of mass action concentration for CaO-MgO-FeO-Fe_2O_3-SiO_2,CaO-MgO-MnO-FeO-Fe_2O_3-P_2O_5-SiO_2 and CaO-MgO-MnO-FeO-Fe_2O_3-Al_2O_3-P_2O_5-SiO_2 slag melts areformulated and sulphur distribution between the slag melts and liquid iron is treated. It is foundthat CaO, MnO and FeO promote desulphurization, while MgO is detrimental to desulphurization. Inaddition, the sulphur distribution coefficients between the slag melts and liquid iron andpresented.
文摘Based on the phase diagrams and the coexistence theory of metallic melts structure involving compound formation, the cal- culating models of mass action concentrations for Mn-P and Fe-Mn-P melts have been formulated. The calculated mass action concen- trations agree well with the corresponding measured activities, this in turn shows that the deduced models can reflect the structural char- acteristics of the melts concerned and there isn't any saturation of phosphorus in both melts.
文摘Based on the phase diagrams, measured activities and the annexationprinciple, calculating models of mass action concentrations for In-Bi-Cu and In-Sb-Cu melts havebeen formulated. Calculated results not only agree well with practical values, but also obey themass action law, showing that the deduced model can reflect the structural reality of given meltasand that the annexation principles is applicable to these tow ternary metallic melts. So long asthere is one from three binary systems constituting the ternary melts, in which the activities ofone component exhibit positive deviation relative to Raoultian behavior, heterogeous meltsinevitably would form, so heterogeneous calculating model should be used to calculate their massaction concentrations. On the contrary, if all the binary melts are homogeneous and their activitiesexhibit negative deviation with respect to the Raoult's law, then the ternary melts formed fromthem will certainly be homogeneous, hence single phase model should be applied.
文摘After the investigation on the thermodynamic properties and mixingthermodynamic parameters of binary homogeneous metallic melts involving compound, peritectic as wellas solid solution, it was found that the equations of mixing free energy DELTA G^m and excess freeenergy DELTA G^(XS) of them can he expressed by the following equations: DELTA G^m = SIGMA x [SIGMAN_i DELTA G_I^(THETA) + RT(SIGMA N_j ln N_j + SIGMA N_i ln N_i )] and DELTA G^(XS) = DELTA G^m -RT(a ln a + b ln b), respectively.
文摘Based on the coexistence theory of metallic melts involving compound formation, the theoretical calculation equations of mixing thermodynamic parameters are established by giving up some empirical parameters in the associated solution model. For Fe-Al, Mn-Al and Ni-Al, the calculated results agree well with the experimental values, testifying that these equations can exactly embody mixing thermodynamic characteristics of these melts.
文摘Based on the phase diagrams, reliable reference experimental data and the coexistence theory of metallic melts structure involving compound formation, calculating models of mass action concentrations for Fe-P and Cr-P melts have been formulated. At the same time, some of their thermodynamic parameters have been optimized. The calculated results not only agree well with the measuredvalues, but also obey the mass action law rigorously, this in turn shows that these models can reflect the structural characteristics of corresponding melts.
文摘According to the results of research on the thermodynamic propelles of Fe-Cr, Fe-P and Cr-P melts, the measured achvihes of Fe-Cr-P melts from reference sources as well as the coexistence theory of metallic melts structure involving compound formation, a calculating model of the mass action concentrations for Fe-Cr-P melts has been formulated and some of its thermodynamic parameters have been optimized. The calculated mass action concentrations agree with the measured achvities, which shows that this model can reflect the structural reality of Fe-Cr-P melts.
文摘Based on the phase diagrams and the mass action law in combination with the coexistence theory of metallic melts structure, the calculation model of mass action concentration for Mg-Al, Sr-Al and Ba-Al was built, and their thermodynamic parameters were determined. The agreement between calculated and measured results shows that the model and the determined thermodynamic parameters can reflect the structural characteristics of relevant melts. However, the fact that the thermodynamic parameters from literature don ′t give the value agree with the measured result may be due to unconformity of these parameters to real chemical reactions in metallic melts.
文摘According to the law of mass action and the coexistence theory of slag structure, the distribution of manganese between MnO FeO SiO 2 and MgO MnO FeO SiO 2 slag melts as well as liquid iron was analyzed. It is shown that K ′ Mn and K MnO are only dependent on temperature and don’t change with basicities and compositions of slag melts. So the distribution of manganese between the above mentioned slag melts and molten iron obeys the law of mass action. But analysis of experimental results from other sources shows that K ′ Mn and K MnO really change with basicities of slag, which is probably arisen from not approaching equilibrium under low basicity slag melts.
文摘From the viewpoints of coexistence theory of the slag structure, the investigation on the structural units of MnO-SiO2 system and the chemical reactions between them has been carried out. The relationships between the physical propenies of the slag and the mass action concentrations of its have been set up at certain temperature and slag composition range, which based on the thermodynamic data of the chemtical reactions between the units and the method of linear regression. The calculated data from the model are in good agreement with the measured results. These calculated values are more accurate and systematic than those from other expirical and semi-expirical formulas used at present.
文摘According to phase diagrams, measured activities as well as the coexistence theory of motallic melts structure involving compound formation, the calculating models of mass action concentrations for Ni-Mn and Co-Mn melts are formulated and their thermodynamic parameters are optimized. As a result, the calculated mass action concentrations agree well with the corresponding measured activities, showing that these models can reflect the structural characteristics of both Ni-Mn and Co-Mn melts.
文摘Based on the phase diagram, the coexistence theory of the metallic melt structure involving compoundformation and the regularity of melts containing saturated phase, a calculating model of mass action concentrationsfor Mn-C melts was formulated. According to the activities (or activity coefficients AM. and γc.), obtained by theUnified Interaction Parameter Model (UIPM), the thermodynamic parameters G and G at higher temperatures (1628~1873 K) were optimized by the repeated try and error method. It is testified that G G(873~1273 K) and G (298~1623 K), obtained at lower temperatures, can also be used at the above-mentionedhigher temperatures. The calculated N. and N agree well with ac. and ac obtained by UIPM. This result showsthat the deduced model can reflect the structural reality of Mn-C melts.