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| Critical assessment of mixing thermodynamic functions of Fe-Al binary melts based on atom-molecule coexistence theory | |
| Yang, Xue-min1; Li, Jin-yan2; Yan, Fang-jia1; Duan, Dong-ping1 | |
| 2020-03-01 | |
| Source Publication | JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL
 |
| ISSN | 1006-706X |
| Volume | 27Issue:3Pages:266-281 |
| Abstract | 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-Ni model, for representing activities a R;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 c i of Al and Fe as o ln ci=oT 1/4 o lnoNi=xiTHORN=oT by the developed AMCTNi model, where T is absolute temperature and xi 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-Ni model. The effect of changing temperature on c i of Al and Fe, i.e., activity coefficient gradients o ln c Al similar to oT and o ln c Fe similar to oT, 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-Ni 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. |
| Keyword | Thermodynamic assessment Fe-Al binary melt Molar mixing thermodynamic function Excess molar mixing thermodynamic function Activity Atom and molecule coexistence theory |
| DOI | 10.1007/s42243-019-00301-2 |
| Language | 英语 |
| WOS Keyword | QUASI-CHEMICAL MODEL ; CAO-BASED SLAGS ; CAO-SIO2-MGO-AL2O3 IRONMAKING SLAGS ; REPRESENTATION REACTION ABILITIES ; STRUCTURAL UNITS ; IRON-ALUMINUM ; LIQUID ALLOYS ; ACTIVITY-COEFFICIENTS ; PHOSPHORUS PARTITION ; ASSOCIATION MODEL |
| WOS Research Area | Metallurgy & Metallurgical Engineering |
| WOS Subject | Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:000520247200004 |
| Publisher | SPRINGER |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/39797 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Yang, Xue-min |
| Affiliation | 1.Chinese Acad Sci, Inst Proc Engn, CAS Key Lab Green Proc & Engn, Beijing 100190, Peoples R China 2.China Met Ind Planning & Res Inst, Dept Met & Raw Mat, Beijing 100711, Peoples R China |
| Recommended Citation GB/T 7714 | Yang, Xue-min,Li, Jin-yan,Yan, Fang-jia,et al. Critical assessment of mixing thermodynamic functions of Fe-Al binary melts based on atom-molecule coexistence theory[J]. JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL,2020,27(3):266-281. |
| APA | Yang, Xue-min,Li, Jin-yan,Yan, Fang-jia,&Duan, Dong-ping.(2020).Critical assessment of mixing thermodynamic functions of Fe-Al binary melts based on atom-molecule coexistence theory.JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL,27(3),266-281. |
| MLA | Yang, Xue-min,et al."Critical assessment of mixing thermodynamic functions of Fe-Al binary melts based on atom-molecule coexistence theory".JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL 27.3(2020):266-281. |
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