To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been studied. The total average relative errors of component 1 and 2 are 3.2% and 4.1% respectively by application of the sub-regular solution model into the systems within the whole concentration. However, the total average relative errors are 16% and 1088% in the systems presenting saturation concentration. The results show that sub-regular solution model is not good for predicting the systems presenting saturation concentration, especially for the systems containing acidic or neutral oxide. The reason may be that the influence of the two types of oxide on the configuration is greater in binary oxide systems. These oxides can be present in the form of complex anion partly, Si-O, Al-O, Ti-O and so on, for example (SiO4)4-. That is contrary to sub-regular solution model which is supposed that the oxide systems consist of cation and O2-. But compared with regular solution model and quasi-regular solution model, sub-regular solution model is closer to the characteristics of actual solution and the calculated results are superior.
参考文献
| [1] | |
| [2] | HILDEBRAND J H, SCOTT R L. Regular solution [M]. New Jersey: Englewwood Cliffs, 1962: 1-54.[2] LUMSDEN J. Physical Chemistry of Process Metallurgy Part I [M]. New Jersey: Englewwood Cliffs, 1961: 165-328.[3] BANYA S. Mathematical Expression of Slag-Metal Reactions in Steelmaking Process by Quadratic Formalism Based on the Regular Solution Model[J]. ISIJ international, 1993, 33(2): 2-11.[4] WEI Q C. Metallurgy Thermodynamics [M]. Chongqing: Chongqing University Press, 1996: 73-85.[5] HARDY H K. A “Sub-regular” Solution Model and its Application to some Binary Alloy Systems[J]. Acta Metallurgica, 1953, 1: 202-209.[6] ZHANG X B, JIANG G C, TANG K. a Sub-regular Solution Model Used to Predict the Component Activities of Quaternary Systems[J]. CALPHAD, 1997, 21(3): 301-309.[7] ZHANG X B, JIANG G C, XU K D. High Order Sub-regular Solution Model and It's Application in the Calculation of Component Activites of MnO-SiO2-Al2O3-CaO molten slag[J]. Acta Metallurgica Sinica, 1997, 33(10): 1085-1093.[8] TANG K, JIANG G C, ZHOU G Z etc. a Sub-regular Solution Model for Metallurgical Slags[J]. Acta Metallurgica Sinica, 2000, 36(5): 502-506.[9] ROG G, KOZLOWSKA A. Determination of the activities in {xMnO + (1-x)NiO} by solid-electrolyte galvanic cell in the temperature range 973K to 1173K[J]. Chem.Thermodynamic, 1997, 29: 305-312.[10] TANG H, TSAI T, MUAN A. Activity-Composition Relations in the Systems[J]. J.Am.Ceram.Soc. , 1992, 75(6): 1472-1475.[11] WU P, ERIKSSON G, PELTON A D. Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the CaO-FeO, CaO-MgO, CaO-MnO, FeO-MgO, FeO-MnO, and MgO-MnO Systems[J]. J. Am. Ceramic Soc. , 1993, 76(8): 2065-2075.[12] ERIKSSON G, PELTON A D. Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the MnO-TiO2, MgO-TiO2, FeO-TiO2, Ti2O3-TiO2, Na2O-TiO2, and K2O-TiO2 systems[J]. Metallurgical Transactions B, 1993, 24B(5): 795-805.[13] RAGHAVAN S, IYENGAR G N K, ABRAHAM K P. Determination of the thermodynamic properties of {XMgO+(1-X)MnO} (s,sln) from a solid-electrolyte galvanic cell in the temperature rang 1163 to 1318K[J]. Chem.Thermodynamics, 1985, 17(6): 585-591.[14] REIN R H, CHIPMAN J. Activities in the Liquid Solution SiO2-CaO-MgO-Al2O3 at 1600oC[J]. Trans. Met. Soc. AIME, 1965, 233(2): 415-425.[15] WANG J. Schlackenatlas Slag Atlas [M]. Beijing: Metallurgical Industry, 1987:1-36.[16] RAO B K D P, GASKELL D R. The Thermodynamic Properties of Melt in the System MnO-SiO2[J]. Met.Trans. , 1981, 12B, 469-473.[17] KAMBAYSHI S, KATO E. A Thermodynamic Study of (Magnesium Oxide + Silicon Dioxide) by Mass Spectrometry at 1973K[J]. J.Chem.Thermodynamics, 1984, 16: 241-245.[18] LEUNG A, THOMPSON W T. A Thermodynamic Study of PbO-GeO2 Melts[J]. Can.Met.Quart. , 1976, 15: 227-232.[19] REYES R A, GASKELL D R. The Thermodynamic Activity of ZnO in Silicate Melts[J]. Metallurgical Transactions B, 1983, 14B(4): P725-731.[20] ABTAHAM K P, DAVIES M W, RICHARSON F D. The Solubility of calcium Sulphide and Activity in MnO-SiO2 Melts[J]. J.Iron Steel Inst. , 1960, 196: 82-89. |
- 下载量()
- 访问量()
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%