Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes
Since CaO-Al2O3-based mold fluxes are one of the most important mold flux systems in metallurgic processes, it is important to explore their structure characteristics and viscosity. Molecular dynamics simulation is performed to study the effect of w(CaO)/w(Al2O3) ratio on both the structural and vis...
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| Format: | Article |
| Language: | English |
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Wiley
2021-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2021/6674453 |
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| _version_ | 1832547621241094144 |
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| author | Lifeng Chen Kun Liu Peng Han Bin Yang Lianghua Feng |
| author_facet | Lifeng Chen Kun Liu Peng Han Bin Yang Lianghua Feng |
| author_sort | Lifeng Chen |
| collection | DOAJ |
| description | Since CaO-Al2O3-based mold fluxes are one of the most important mold flux systems in metallurgic processes, it is important to explore their structure characteristics and viscosity. Molecular dynamics simulation is performed to study the effect of w(CaO)/w(Al2O3) ratio on both the structural and viscosity properties of CaO-Al2O3-based mold fluxes. A systematic analysis of the structure and thermodynamics on CaO-Al2O3-based mold fluxes is carried out, and it is well known that the viscosity of mold fluxes is related to the structure. The results show that the formation of stable structures of Si-O in the mold fluxes was beneficial to reduce the probability of structural interconnection, degree of polymerization, and viscosity of the molten slag. In the cationic structure, the contents of Ca-O-Al and Ca-O-Si are more stable, the interconnection of the Ca-O-Al and Ca-O-Si network weakens, and the viscosity decreases. The tetrahedra [AlO4] and [SiO4] have similar structures, but they exhibit different thermodynamic and physical properties. Viscosity test shows that CaO/Al2O3 = 0.88–2 continuously increased, when the cosolvent content Li2O = 1%–4%, CaO-Al2O3-based mold flux viscosity decreased, the degree of network structure polymerization decreased, and the complex structure depolymerized. Increasing the water content in the cosolvent is beneficial to reduce the viscosity of the crystallizer. |
| format | Article |
| id | doaj-art-228ea13dd4374b518143cd185e99aad6 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2021-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-228ea13dd4374b518143cd185e99aad62025-02-03T06:43:48ZengWileyJournal of Chemistry2090-90632090-90712021-01-01202110.1155/2021/66744536674453Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold FluxesLifeng Chen0Kun Liu1Peng Han2Bin Yang3Lianghua Feng4School of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan 114000, ChinaSchool of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan 114000, ChinaSchool of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan 114000, ChinaSchool of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan 114000, ChinaSchool of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan 114000, ChinaSince CaO-Al2O3-based mold fluxes are one of the most important mold flux systems in metallurgic processes, it is important to explore their structure characteristics and viscosity. Molecular dynamics simulation is performed to study the effect of w(CaO)/w(Al2O3) ratio on both the structural and viscosity properties of CaO-Al2O3-based mold fluxes. A systematic analysis of the structure and thermodynamics on CaO-Al2O3-based mold fluxes is carried out, and it is well known that the viscosity of mold fluxes is related to the structure. The results show that the formation of stable structures of Si-O in the mold fluxes was beneficial to reduce the probability of structural interconnection, degree of polymerization, and viscosity of the molten slag. In the cationic structure, the contents of Ca-O-Al and Ca-O-Si are more stable, the interconnection of the Ca-O-Al and Ca-O-Si network weakens, and the viscosity decreases. The tetrahedra [AlO4] and [SiO4] have similar structures, but they exhibit different thermodynamic and physical properties. Viscosity test shows that CaO/Al2O3 = 0.88–2 continuously increased, when the cosolvent content Li2O = 1%–4%, CaO-Al2O3-based mold flux viscosity decreased, the degree of network structure polymerization decreased, and the complex structure depolymerized. Increasing the water content in the cosolvent is beneficial to reduce the viscosity of the crystallizer.http://dx.doi.org/10.1155/2021/6674453 |
| spellingShingle | Lifeng Chen Kun Liu Peng Han Bin Yang Lianghua Feng Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes Journal of Chemistry |
| title | Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes |
| title_full | Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes |
| title_fullStr | Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes |
| title_full_unstemmed | Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes |
| title_short | Effects of Li2O on Structure and Viscosity of CaO-Al2O3-Based Mold Fluxes |
| title_sort | effects of li2o on structure and viscosity of cao al2o3 based mold fluxes |
| url | http://dx.doi.org/10.1155/2021/6674453 |
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