Thermodynamic Properties and Mixing Thermodynamic Parameter of Binary Metallic Melt Involving Compound Formation

Massactionlaw,formulatedbyGuldbergand Waagein1864,showsthattheequilibriumconstant (ΔGθ)ofachemicalreactionisafunctionoftemper atureonly,andindependentfromtheconcentration ofreactantsandproducts.Itisanimportantsubject forallmonographsinthefieldofmetallu…     

Fe-C-O三元金属熔体作用浓度计算模型

根据含化合物的金属熔体结构的共存理论,推导了Fe-C-O金属熔体作用浓度计算模型。计算的N_o'与相应的实测α_o相符合,从而证明所得模型可以反映Fe-C-O金属熔体的结构本质。     

Fe—C—P,Fe—Mn—P,Fe—Si—P三元金属熔体作用浓度计算模型

根据含化合物的金属熔体结构的共存理论，推导了１６７３Ｋ下Ｆｅ－Ｃ－Ｐ、Ｆｅ－Ｍｎ－Ｐ、Ｆｅ－Ｓｉ－Ｐ三元金属熔体作用浓度计算模型。计算的磷的作用浓度与相应的实测磷活度相符合，从而证明所得模型可以反映Ｆｅ－Ｃ－Ｐ、Ｆｅ－Ｍｎ－Ｐ、Ｆｅ－Ｓｉ－Ｐ三元熔体的结构本质。同时模型揭示了Ｃ、Ｍｎ、Ｓｉ的摩尔分数对磷的转换系数的影响规律。     

Calculation Model of Mass Action Concentration for Mg-Al, Sr-Al and Ba-Al Melts and Determination of Their Thermodynamic Parameters

Basedonthermodynamicpropertiesofdifferentkindsofmetallicmelts[1 5] ,ageneralunderstandingofcoexistencetheoryforstructureofmetallicmeltscanbeachieved .ThispaperaimsatdeterminationofthermodynamicparametersofMg Al,Sr AlandBa Almetallicmeltsbycalculationwithmassactionconcentrationsmodel.Therearesomeresearchworksaboutthephasediagramofthesebinarysys tems[6 ,7] ,dataofactivityinthesemelts[8 13 ] aswellasthethermodynamicparametersofSr AlandBa Almelts[12 ,13 ] .Thesedataareusedtobuildcalculationmod…     

Fe-Al系金属熔体作用浓度的计算模型

根据含化合物金属熔体的共存理论和Fe-Al系相图,用回归分析法确定了Fe-Al系金属熔体在1315℃和1600℃时的结构单元,进而推导了各组元的作用浓度模型。将计算的N_Fe,N_Al和实测的活度值α_Fe,α_Al相比较,得到了比较满意的结果。     

关于含化合物金属熔体结构的共存理论

从含化合物金属熔体的原子本性和分子本性(活度的负偏差、混合△G和△H显示最小值、过剩稳定性的突然升高、电阻率显示最大值和相图等)出发,提出了反映本熔体实际的原子和分子共存理论。根据此理论制定了不同金属熔体作用浓度(即实测的活度)的计算模型。计算结果与实际符合的事实证明共存理论恰当地反映了含化合物金属熔体的结构本质。     

Application of annexation principle to the study of thermodynamic properties of Ag-Bi-In metallic melts

Based on the measured activities, the phase diagrams and the annexation principle, the calculating models of mass action concentrations for Ag-Bi and Ag-Bi-In melts have been formulated. The calculated results agree with practice and obey the mass action law, showing that the models formulated can reflect the structural characteristics of both melts. Meanwhile, it confirms that annexation principle is applicable to the Ag-Bi-In metallic melts. The melts involving eutectic which give rise to phase separation, and in which activities exhibit positive deviation from Raoult's law is the basic cause of melts transforming from homogeneous to heterogeneous ones.     

Thermodynamic Model for Calculating Activity of Nitrogen and Boron in Fe-C-B-N Molten Metal

The solubility of nitrogen in Fe-C-B-N system was measured at 1 758 K, and the computational model on activity (action concentration) of nitrogen and boron was established based on phase diagram and the coexistence theory about metal melt structure model. Comparing the computed results with the experimental results, satisfactory conclusion can be obtained. The result shows that BN and B₄ C can exist in Fe-C-B-N molten metal at high temperature, which consequently restrains the nitrogen removal from the melt. However, B₄C content is extremely low. Before graphite is precipitated, the influence of carbon on activity of nitrogen in melt is higher in ternary system than in binary system; however, this effect is contrary to that after graphite is precipitated.     

Al-Si-Fe合金熔体质量作用浓度的热力学模型

基于原子分子共存理论(AMCT)建立了计算Al-Si二元熔体及Al-Si-Fe三元熔体结构单元质量作用浓度的热力学模型.针对Al-Si二元系熔体,根据FactSage热力学软件计算的活度得到生成复杂分子Al2Si和AlSi的反应的标准摩尔吉布斯自由能的表达式,进而获得了 Al-Si二元熔体中标准摩尔溶解吉布斯能变的表达...     

CaO-Al2O3-SiO2熔渣的作用浓度计算模型

根据相图和炉渣结构的共存理论,推导了CaO-Al₂O₃-SiO₂渣系作用浓度的计算模型,计算的N_CaO和N_SiO2与相应的实测α_CaO和α_SiO2基本符合,从而证明所得模型可以反映本渣系的结构本质。与此同时,还发现生成正硅酸盐(2CaO·SiO₂)的碱度因Al2O3的增加而变大的事实和本渣系有∑n较小的活跃部分。     

Coexistence Theory of Slag Structure and Its Application to Calculation of Oxidizing Capability of Slag Melts

1　ＣｏｅｘｉｓｔｅｎｃｅＴｈｅｏｒｙｏｆＳｌａｇＳｔｒｕｃｔｕｒｅＴｈｅｓｔａｎｄｐｏｉｎｔｏｆｔｈｅｃｏｅｘｉｓｔｅｎｃｅｔｈｅｏｒｙｏｆｓｌａｇｓｔｒｕｃｔｕｒｅｉｓｔｈａｔｓｌａｇｍｅｌｔｓｃｏｎｓｉｓｔｏｆｍｏｌｅｃｕｌｅｓａｎｄｉｏｎｓ.Ｔｈｉｓｓｔａｎｄｐｏｉｎｔｃａｎｂｅｃｏｎｆｉｒｍｅｄｂｙｔｈｅｆｏｌ ｌｏｗｉｎｇｆａｃｔｓ :(1)Ｆａｃｔｓｉｎｃｒｙｓｔａｌｃｈｅｍｉｓｔｒｙ :Ｔｈｅｏｘｉｄｅｓｉｎｓｏｌｉｄｓｔａｔｅ ,ｓｕｃｈａｓＣａＯ ,ＭｇＯ ,ＭｎＯ ,ＦｅＯ ,ｅｔｃ .,ａｒｅ…     

CaO—SiO2—FeO—Fe2O3—MgO渣系MgO饱和溶解度的研究

根据熔渣结构的共存理论，建立了ＣａＯ－ＳｉＯ２－ＦｅＯ－Ｆｅ２Ｏ３－ＭｇＯ渣系作用浓度计算模型。分析了ＮＣａＯ、ＮＳｉＯ２、ＮＦｅＯ等对ＭｇＯ饱和溶解度的影响。在１５００－１７５０℃温度范围内，ＭｇＯ饱和溶解度的模型计算值与实测值一致。     

Activity Model of Fe-Si-B Ternary Metallic Melts

 According to the ion and molecule coexistence theory, the activity model of Fe Si B ternary system was established, and the influence of ratio xSi/xFe, boron content and temperature, etc on the activity of the melt compound was investigated. The results show that the FeB activity is high in the liquid iron, when xSi/xFe is 05; the activity of boron increases with increasing the boron content for different contents of xFe and xSi, and the activity of boron at the ratio xFe=04 is about one order of magnitude higher than that for the xFe=08; The activities of the melt compound were also affected by temperature, but the influencing extent was little. The equal activity diagrams of silicon and boron were drawn for the first time according to the model results.     

Model of Calculating Activity of Nitrogen and Vanadium in Fe-C-V-N Molten Metal

The solubility of nitrogen in the Fe-C-V-N system was measured at 1 708 K and the model of calculating activity （action concentration） of nitrogen （N） and vanadium （V） was derived according to the phase diagram and the coexistence theory of the metal melt structure. The solubility expression of nitrogen in the Fe-C-V-N system at 1 708 K was ωN =0. 058 194-0. 010 367ωc＋0. 005 543 4ωv. Comparing the computing results with the experimental resuits, a satisfactory conclusion could be obtained. The analysis of the Fe-C-V-N system using this model showed that VN was present in a high temperature metal melt, which would reduce the action concentration of nitrogen obviously. It was consequently disadvantageous to the removal of nitrogen from hot metal.     

基于离子和分子共存理论的炉渣氧化能力表征

选用文献报道的14个渣系铁氧化物活度a_FetO作为基础实验数据,验证了基于炉渣离子-分子共存理论(IMCT)所定义的铁氧化物综合质量作用浓度N_FetO表征炉渣氧化性的可能性和精度.为了得到14个渣系的N_FetO,建立了CaO-SiO₂-MgO-FeO-Fe₂O₃-MnO-Al₂O₃-P₂O₅渣系的IMCT-N_i模型,其他13个渣系N_FetO可由该渣系的IMCT-N_i模型经简化得到.结果表明,铁氧化物综合质量作用浓度N_FetO不仅可像活度a_FetO一样表征炉渣氧化性,而且比实测a_FetO精度更高.     

基于原子和分子共存理论的Al-Ti熔体反应能力表征

基于原子和分子共存理论建立计算Al-Ti二元合金系结构单元质量作用浓度的热力学模型.利用文献报道的2073、2173和2273 K下Al-Ti二元系的活度计算了生成Al₃Ti、AlTi和Al₁₁Ti₅反应的平衡常数,并进一步得到其标准摩尔吉布斯自由能的表达式.使用文献报道的不同温度下Al-Ti二元合金系全浓度范围内组元Al和Ti的活度a_Al和a_Ti与原子和分子共存理论定义的质量作用浓度N_Al和N_Ti进行比较.结果表明:在Al-Ti二元合金熔体全浓度范围内计算得到的质量作用浓度N_Al和N_Ti与文献报道的活度符合很好.同时,计算得到的Al-Ti二元合金系中结构单元Al₃Ti和Al₁₁Ti₅的平衡物质的量与其质量作用浓度的关系呈\     

碳饱和三元金属熔体热力学性质的计算方法

为了简化金属熔体热力学性质的计算过程和获得任意温度下熔体组元的热力学性质，基于一种碳饱和三元金属熔体热力学性质的计算方法，将三元金属熔体中碳的饱和溶解度分解为温度T和第三组元j的影响因子kj(或mj)两项，得到用T和kj(或mj)表示的组元活度相互作用系数的计算公式。用该公式可以计算出M—C-j三元熔体中组元j在任意温度下的活度相互作用系数，并可得到组元j的活度相互作用系数与温度的关系式。将计算的Fe-C—Cr体系和Mn—C—Fe体系的性质应用于热力学分析，获得了与实际生产比较吻合的结果。     

Model of Calculating Activity of Nitrogen and Vanadium in FeCVN Molten Metal

The solubility of nitrogen in the FeCVN system was measured at 1 708 K and the model of calculating activity (action concentration) of nitrogen (N) and vanadium (V) was derived according to the phase diagram and the coexistence theory of the metal melt structure. The solubility expression of nitrogen in the FeCVN system at 1 708 K was wN=0058 194-0010 367wC+0005 543 4wV. Comparing the computing results with the experimental results, a satisfactory conclusion could be obtained. The analysis of the FeCVN system using this model showed that VN was present in a high temperature metal melt, which would reduce the action concentration of nitrogen obviously. It was consequently disadvantageous to the removal of nitrogen from hot metal.     

MnO-FeO-SiO2-Al2O3渣系作用浓度的计算模型

根据炉渣结构共存理论和相关相图,建立了MnO-FeO-SiO2-Al2O3渣系作用浓度的计算模型,考察了炉渣温度、FeO含量对锰在渣-钢间分配比(LMn)的影响.研究结果表明,模型计算的作用浓度值NMno、钢液中锰含量和LMn与文献中的实测值相吻合;LMn随着温度的升高而降低,随着渣系中FeO含量的增加而增加.因此,本...     

Fe-C-V三元熔体热力学性质及应用分析

根据第3组元V对C的饱和溶解度的影响与温度无关规则,利用不同温度下C在FeV熔体中的饱和溶解度,得到C在Fe-V熔体中的饱和溶解度关系式.根据该关系式计算出适合不同温度的Fe-C-V熔体的活度相互作用系数,并用计算结果分析了含钒铁水的提钒保碳转化温度,预测的转化温度与生产实践比较接近.