A Thermodynamic Model for Representation Reaction Abilities of Structural Units in Fe-S Binary Melts Based on the Atom-Molecule Coexistence Theory
文献类型：期刊论文
| 作者 | Yang, Xue-Min1; Zhang, Meng; Li, Peng-Cheng2; Li, Jin-Yan2; Zhang, Jian-Liang3; Zhang, Jian3 |
| 刊名 | METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
 |
| 出版日期 | 2012-12-01 |
| 卷号 | 43期号:6页码:1358-1387 |
| 关键词 | CAO-SIO2-MGO-AL2O3 IRONMAKING SLAGS METAL-SULFUR SYSTEMS LIQUID-PHASE FERROUS SULFIDE IRON PREDICTION CAPACITY ION |
| ISSN号 | 1073-5615 |
| 通讯作者 | Yang, XM |
| 英文摘要 | A thermodynamic model for calculating the mass action concentrations of structural units in Fe-S binary melts based on the atom-molecule coexistence theory, i.e., AMCT-N (i) model, has been developed and verified through a comparison with the reported activities of both S and Fe in Fe-S binary melts with changing mole fraction of S from 0.0 to 0.095 at temperatures of 1773 K, 1823 K, and 1873 K (1500 A degrees C, 1550 A degrees C, and 1600 A degrees C) from the literature. The calculated mass action concentration of S is much smaller than the reported activity of S in Fe-S binary melts with changing mole fraction of S from 0.0 to 0.095. The calculated mass action concentration of S can correlate the reliable 1:1 corresponding relationship with the reported activity or of S through the introduced transformation coefficients with absolutely mathematical meaning or through the defined comprehensive mass action concentration of total S with explicitly physicochemical meaning. The calculated mass action concentrations of structural units from the developed AMCT-N (i) thermodynamic model can be applied to describe or predict the reaction abilities of structural units in Fe-S binary melts. The reaction abilities of Fe and S show a competitive relationship each other in Fe-S binary melts in a temperature range from 1773 K to 1873 K (1500 A degrees C to 1600 A degrees C). The calculated mass action concentration of FeS2 is very small and can be ignored because FeS2 can be incongruently decomposed above 1016 K (743 A degrees C). The very small values for the calculated mass action concentrations of FeS2 in a range of mole fraction of S from 0.0 to 1.0 as well as a maximum value for the calculated mass action concentration of FeS with mole fraction of S as 0.5 are coincident with diagram phase of Fe-S binary melts. A spindle-type relationship between the calculated mass action concentration and the calculated equilibrium mole number can be found for FeS and FeS2 in Fe-S binary melts. The Raoultian activity coefficient of S relative to pure liquid S(l) as standard state and the infinitely dilute solution as reference state in Fe-S binary melts can be determined as 1.0045 in a temperature range from 1773 K to 1873 K (1500 A degrees C to 1600 A degrees C). The standard molar Gibbs free energy change of dissolving liquid S for forming [pct S] as 1.0 in Fe-S binary melts relative to 1 mass percentage of S as standard state can be formulated as. DOI: 10.1007/s11663-012-9707-6 (C) The Minerals, Metals & Materials Society and ASM International 2012 |
| WOS标题词 | Science & Technology ; Technology |
| 类目[WOS] | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| 研究领域[WOS] | Materials Science ; Metallurgy & Metallurgical Engineering |
| 关键词[WOS] | CAO-SIO2-MGO-AL2O3 IRONMAKING SLAGS ; METAL-SULFUR SYSTEMS ; LIQUID-PHASE ; FERROUS SULFIDE ; IRON ; PREDICTION ; CAPACITY ; ION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000312342900015 |
| 公开日期 | 2013-10-09 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/2956]  |
| 专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, Beijing 100190, Peoples R China 2.Univ Sci & Technol Beijing, State Key Lab Adv Met, Beijing 100083, Peoples R China 3.Univ Sci & Technol Beijing, Sch Met & Ecol Engn, Beijing 100083, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Xue-Min,Zhang, Meng,Li, Peng-Cheng,et al. A Thermodynamic Model for Representation Reaction Abilities of Structural Units in Fe-S Binary Melts Based on the Atom-Molecule Coexistence Theory[J]. METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE,2012,43(6):1358-1387. |
| APA | Yang, Xue-Min,Zhang, Meng,Li, Peng-Cheng,Li, Jin-Yan,Zhang, Jian-Liang,&Zhang, Jian.(2012).A Thermodynamic Model for Representation Reaction Abilities of Structural Units in Fe-S Binary Melts Based on the Atom-Molecule Coexistence Theory.METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE,43(6),1358-1387. |
| MLA | Yang, Xue-Min,et al."A Thermodynamic Model for Representation Reaction Abilities of Structural Units in Fe-S Binary Melts Based on the Atom-Molecule Coexistence Theory".METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE 43.6(2012):1358-1387. |
入库方式： OAI收割
来源：过程工程研究所
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