Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence Theory
A thermodynamic model for calculating the mass action concentrations Ni{N_i} of structural units in Fe–Al binary melts based on the atom–molecule coexistence theory, i. e., AMCT–Ni{N_i} model, has been developed and verified to be valid by comparing with reported activities aR,i{a_{{\rm{R, }}i}} of...
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| Format: | Article |
| Language: | English |
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De Gruyter
2018-10-01
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| Series: | High Temperature Materials and Processes |
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| Online Access: | https://doi.org/10.1515/htmp-2017-0018 |
| _version_ | 1818606428154232832 |
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| author | Yang Xue-min Li Jin-yan Yan Fang-jia Duan Dong-ping Zhang Jian |
| author_facet | Yang Xue-min Li Jin-yan Yan Fang-jia Duan Dong-ping Zhang Jian |
| author_sort | Yang Xue-min |
| collection | DOAJ |
| description | A thermodynamic model for calculating the mass action concentrations Ni{N_i} of structural units in Fe–Al binary melts based on the atom–molecule coexistence theory, i. e., AMCT–Ni{N_i} model, has been developed and verified to be valid by comparing with reported activities aR,i{a_{{\rm{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 °C). Furthermore, Raoultian activity coefficients γi0\gamma _i^0 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 ΔsolGm,i(l)→[i][%i]=1.0Θ,%{\Delta _{{\rm{sol}}}}G_{{\rm{m, }}i{\rm{(l)}} \to {{{\rm{[}}i{\rm{]}}}_{{\rm{ [ \% }}i]{\rm{ = 1}}{\rm{. 0}}}}}^{\Theta {\rm{, \% }}} 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{N_i} model and verified to be accurate. |
| first_indexed | 2024-12-16T14:10:42Z |
| format | Article |
| id | doaj.art-4b5b554239fc479d8670fd1212f12036 |
| institution | Directory Open Access Journal |
| issn | 0334-6455 2191-0324 |
| language | English |
| last_indexed | 2024-12-16T14:10:42Z |
| publishDate | 2018-10-01 |
| publisher | De Gruyter |
| record_format | Article |
| series | High Temperature Materials and Processes |
| spelling | doaj.art-4b5b554239fc479d8670fd1212f120362022-12-21T22:28:46ZengDe GruyterHigh Temperature Materials and Processes0334-64552191-03242018-10-01379-1081584810.1515/htmp-2017-0018Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence TheoryYang Xue-min0Li Jin-yan1Yan Fang-jia2Duan Dong-ping3Zhang Jian4CAS Key Laboratory of Green Process and Engineering, Institute of Process Engineering,Chinese Academy of Sciences, Beijing100190, P. R. ChinaDepartment of Metallurgy and Raw Materials, China Metallurgical Industry Planning and Research Institute, Beijing100711, P. R. ChinaCAS Key Laboratory of Green Process and Engineering, Institute of Process Engineering,Chinese Academy of Sciences, Beijing100190, P. R. ChinaCAS Key Laboratory of Green Process and Engineering, Institute of Process Engineering,Chinese Academy of Sciences, Beijing100190, P. R. ChinaSchool of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing100083, P. R. ChinaA thermodynamic model for calculating the mass action concentrations Ni{N_i} of structural units in Fe–Al binary melts based on the atom–molecule coexistence theory, i. e., AMCT–Ni{N_i} model, has been developed and verified to be valid by comparing with reported activities aR,i{a_{{\rm{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 °C). Furthermore, Raoultian activity coefficients γi0\gamma _i^0 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 ΔsolGm,i(l)→[i][%i]=1.0Θ,%{\Delta _{{\rm{sol}}}}G_{{\rm{m, }}i{\rm{(l)}} \to {{{\rm{[}}i{\rm{]}}}_{{\rm{ [ \% }}i]{\rm{ = 1}}{\rm{. 0}}}}}^{\Theta {\rm{, \% }}} 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{N_i} model and verified to be accurate.https://doi.org/10.1515/htmp-2017-0018assessmentactivity of aluminumactivity of ironfe–al binary meltsmass action concentrationreaction abilityatom and molecule coexistence theory (amct)structural units |
| spellingShingle | Yang Xue-min Li Jin-yan Yan Fang-jia Duan Dong-ping Zhang Jian 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 assessment activity of aluminum activity of iron fe–al binary melts mass action concentration reaction ability atom and molecule coexistence theory (amct) structural units |
| title | Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence Theory |
| title_full | Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence Theory |
| title_fullStr | Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence Theory |
| title_full_unstemmed | Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence Theory |
| title_short | Critical Assessment of Activities of Structural Units in Fe–Al Binary Melts Based on the Atom and Molecule Coexistence Theory |
| title_sort | critical assessment of activities of structural units in fe al binary melts based on the atom and molecule coexistence theory |
| topic | assessment activity of aluminum activity of iron fe–al binary melts mass action concentration reaction ability atom and molecule coexistence theory (amct) structural units |
| url | https://doi.org/10.1515/htmp-2017-0018 |
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