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Critical Assessment of Activities of Structural Units in Fe-Al Binary Melts Based on the Atom and Molecule Coexistence Theory
Yang, Xue-min1; Li, Jin-yan2; Yan, Fang-jia1; Duan, Dong-ping1; Zhang, Jian3
2018-11-01
Source PublicationHIGH TEMPERATURE MATERIALS AND PROCESSES
ISSN0334-6455
Volume37Issue:9-10Pages:815-848
Abstract

A thermodynamic model for calculating the mass action concentrations Ni of structural units in Fe-Al binary melts based on the atom-molecule coexistence theory, i. e., AMCT-N-i model, has been developed and verified to be valid by comparing with reported activities a(R,i) of both Al and Fe relative to pure liquid as standard state in Fe-Al binary melts over a temperature range from 1823 to 1973 K (1550 to 1700 degrees C). Furthermore, Raoultian activity coefficients gamma(0)(i) of both Al and Fe in the Fe-rich corner or Al-rich corner of Fe-Al binary melts as well as the standard molar Gibbs-free energy changes Delta(sol)G(m,i(l)->[i][%i]=1.0) (Theta,%)of dissolved Al or Fe for forming [% Al] or [% Fe] as 1.0 in Fe-Al binary melts have also been determined by the developed AMCT-Ni model and verified to be accurate. The reported activities a(R,i) of both Al and Fe from the literature can be well reproduced by calculated mass action concentrations Ni of free Al and free Fe in Fe-Al binary melts. A small effect of changing temperature from 1823 to 1973 K (1550 to 1700 degrees C) on reaction abilities of both Al and Fe from the available literature is also confirmed by calculated mass action concentrations Ni of free Al and free Fe in Fe-Al binary melts. The obtained activity coefficients gamma(i) of both Al and Fe in Fe-Al binary melts can be described by a quadratic polynomial function and a cubic polynomial function, respectively. Furthermore, accurate expressions of Raoultian activity coefficients gamma(0)(i) of both Al and Fe in Fe-rich corner or Al-rich corner of Fe-Al binary melts are also obtained as ln gamma(0)(Al)=-9,646.5/T+2.196 and ln gamma(0)(Fe)=-6,799.1/T-0.01367, respectively. In addition, expressions of the first-order activity interaction coefficients epsilon(i)(i) or e(i)(i) or h(i)(i) of both Al and Fe coupled with three activity coefficients gamma(i) or f(%,i) or f(H,i) relative to three standard states are also obtained from the developed AMCT-N-i model for Fe-Al binary melts.

KeywordAssessment Activity Of Aluminum Activity Of Iron Fe-al Binary Melts Mass Action Concentration Reaction Ability Atom And Molecule Coexistence Theory (Amct) Structural Units
DOI10.1515/htmp-2017-0018
Language英语
WOS KeywordIron-aluminum Alloys ; Quasi-chemical Model ; Cao-sio2-mgo-al2o3 Ironmaking Slags ; Representation Reaction Abilities ; Cao-based Slags ; Thermodynamic Properties ; Liquid Alloys ; Metallic Solutions ; Activity-coefficients ; Phosphorus Partition
Funding ProjectBeijing Natural Science Foundation[2182069] ; National Natural Science Foundation of China[51174186]
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
Funding OrganizationBeijing Natural Science Foundation ; National Natural Science Foundation of China
WOS IDWOS:000448398500004
PublisherWALTER DE GRUYTER GMBH
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/26446
Collection中国科学院过程工程研究所
Corresponding AuthorYang, Xue-min
Affiliation1.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
3.Univ Sci & Technol Beijing, Sch Met & Ecol Engn, Beijing 100083, Peoples R China
Recommended Citation
GB/T 7714
Yang, Xue-min,Li, Jin-yan,Yan, Fang-jia,et al. Critical Assessment of Activities of Structural Units in Fe-Al Binary Melts Based on the Atom and Molecule Coexistence Theory[J]. HIGH TEMPERATURE MATERIALS AND PROCESSES,2018,37(9-10):815-848.
APA Yang, Xue-min,Li, Jin-yan,Yan, Fang-jia,Duan, Dong-ping,&Zhang, Jian.(2018).Critical Assessment of Activities of Structural Units in Fe-Al Binary Melts Based on the Atom and Molecule Coexistence Theory.HIGH TEMPERATURE MATERIALS AND PROCESSES,37(9-10),815-848.
MLA Yang, Xue-min,et al."Critical Assessment of Activities of Structural Units in Fe-Al Binary Melts Based on the Atom and Molecule Coexistence Theory".HIGH TEMPERATURE MATERIALS AND PROCESSES 37.9-10(2018):815-848.
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