Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory
A developed and verified thermodynamic model based on the atom and molecule coexistence theory (AMCT) is employed to predict activities relative to pure liquids in standard state in Mg-Al, Mg-Zn, Al-Zn and Mg-Al-Zn melts through the calculated mass action concentrations of structural units, i.e., Ni...
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| Format: | Article |
| Language: | English |
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University of Belgrade, Technical Faculty, Bor
2019-01-01
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| Series: | Journal of Mining and Metallurgy. Section B: Metallurgy |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/1450-5339/2019/1450-53391900017Z.pdf |
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| author | Zhang Man-Cang Duan Sheng-Chao Xu Rong-Huan Zou Ming Dong Shi-Wen Guo Han-Jie Guo Jing |
| author_facet | Zhang Man-Cang Duan Sheng-Chao Xu Rong-Huan Zou Ming Dong Shi-Wen Guo Han-Jie Guo Jing |
| author_sort | Zhang Man-Cang |
| collection | DOAJ |
| description | A developed and verified thermodynamic model based on the atom and molecule coexistence theory (AMCT) is employed to predict activities relative to pure liquids in standard state in Mg-Al, Mg-Zn, Al-Zn and Mg-Al-Zn melts through the calculated mass action concentrations of structural units, i.e., Ni. According to AMCT, Ni can be extrapolated and calculated by the chemical equilibrium constant of a structural molecule, i.e., Ki, in the Mg-Al-Zn ternary system and binary subsystems. In this paper, the standard Gibbs free energy function, for reported activities and mixing thermodynamic properties in Mg-Al, Mg-Zn and Al-Zn melts, was regressed and optimized. The results showed that Ki and Ni were deduced by Gibbs free energy function at the studied temperature. The results of calculating thermodynamic properties in the full composition range for liquid Mg-Al-Zn from 880 to 1100 K, as well as Mg-Al from 923 to 1073 K, Mg-Zn from 880 to 973 K and Al-Zn from 1000 to 1073 K, are presented in the paper by coupling with Ni and AMCT. An excellent agreement is noticed between the calculated values of this study and measured thermodynamic data from the references, suggesting that the AMCT can be well applied to describe and predict the activities of the Mg-Al-Zn system and its subsystems. |
| format | Article |
| id | doaj-art-89bb77e2f4014e7e9d5c93170cd78f91 |
| institution | Kabale University |
| issn | 1450-5339 2217-7175 |
| language | English |
| publishDate | 2019-01-01 |
| publisher | University of Belgrade, Technical Faculty, Bor |
| record_format | Article |
| series | Journal of Mining and Metallurgy. Section B: Metallurgy |
| spelling | doaj-art-89bb77e2f4014e7e9d5c93170cd78f912025-02-02T18:37:49ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392217-71752019-01-0155213514510.2298/JMMB181126017Z1450-53391900017ZThermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theoryZhang Man-Cang0Duan Sheng-Chao1Xu Rong-Huan2Zou Ming3Dong Shi-Wen4Guo Han-Jie5Guo Jing6University of Science and Technology Beijing (USTB), School of Metallurgical and Ecological Engineering, Beijing, P.R. China + University of Science and Technology Beijing (USTB), Beijing Key Laboratory of Special Melting and Preparation of High-End MetalUniversity of Science and Technology Beijing (USTB), School of Metallurgical and Ecological Engineering, Beijing, P.R. China + University of Science and Technology Beijing (USTB), Beijing Key Laboratory of Special Melting and Preparation of High-End MetalUniversity of Science and Technology Beijing (USTB), School of Metallurgical and Ecological Engineering, Beijing, P.R. China + University of Science and Technology Beijing (USTB), Beijing Key Laboratory of Special Melting and Preparation of High-End MetalJiuquan Iron and Steel (Group) Co., Ltd., Jiayuguan, Gansu, P.R. ChinaJiuquan Iron and Steel (Group) Co., Ltd., Jiayuguan, Gansu, P.R. ChinaUniversity of Science and Technology Beijing (USTB), School of Metallurgical and Ecological Engineering, Beijing, P.R. China + University of Science and Technology Beijing (USTB), Beijing Key Laboratory of Special Melting and Preparation of High-End MetalUniversity of Science and Technology Beijing (USTB), School of Metallurgical and Ecological Engineering, Beijing, P.R. China + University of Science and Technology Beijing (USTB), Beijing Key Laboratory of Special Melting and Preparation of High-End MetalA developed and verified thermodynamic model based on the atom and molecule coexistence theory (AMCT) is employed to predict activities relative to pure liquids in standard state in Mg-Al, Mg-Zn, Al-Zn and Mg-Al-Zn melts through the calculated mass action concentrations of structural units, i.e., Ni. According to AMCT, Ni can be extrapolated and calculated by the chemical equilibrium constant of a structural molecule, i.e., Ki, in the Mg-Al-Zn ternary system and binary subsystems. In this paper, the standard Gibbs free energy function, for reported activities and mixing thermodynamic properties in Mg-Al, Mg-Zn and Al-Zn melts, was regressed and optimized. The results showed that Ki and Ni were deduced by Gibbs free energy function at the studied temperature. The results of calculating thermodynamic properties in the full composition range for liquid Mg-Al-Zn from 880 to 1100 K, as well as Mg-Al from 923 to 1073 K, Mg-Zn from 880 to 973 K and Al-Zn from 1000 to 1073 K, are presented in the paper by coupling with Ni and AMCT. An excellent agreement is noticed between the calculated values of this study and measured thermodynamic data from the references, suggesting that the AMCT can be well applied to describe and predict the activities of the Mg-Al-Zn system and its subsystems.http://www.doiserbia.nb.rs/img/doi/1450-5339/2019/1450-53391900017Z.pdfthermodynamic prediction modelatom and molecule coexistence theoryregression and optimizationmass action concentrationsthe mg-al-zn system and its subsystems |
| spellingShingle | Zhang Man-Cang Duan Sheng-Chao Xu Rong-Huan Zou Ming Dong Shi-Wen Guo Han-Jie Guo Jing Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory Journal of Mining and Metallurgy. Section B: Metallurgy thermodynamic prediction model atom and molecule coexistence theory regression and optimization mass action concentrations the mg-al-zn system and its subsystems |
| title | Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory |
| title_full | Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory |
| title_fullStr | Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory |
| title_full_unstemmed | Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory |
| title_short | Thermodynamic properties prediction of Mg-Al-Zn melts based on the atom and molecule coexistence theory |
| title_sort | thermodynamic properties prediction of mg al zn melts based on the atom and molecule coexistence theory |
| topic | thermodynamic prediction model atom and molecule coexistence theory regression and optimization mass action concentrations the mg-al-zn system and its subsystems |
| url | http://www.doiserbia.nb.rs/img/doi/1450-5339/2019/1450-53391900017Z.pdf |
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