Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods
Molten slag has different properties depending on its composition. The relationship between its composition, structure, and properties has been the focus of attention in industrial manufacturing processes. This review describes the atomistic scale mechanisms by which oxides of different compositions...
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| Format: | Article |
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MDPI AG
2024-03-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/14/5/464 |
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| author | Chunhe Jiang Kejiang Li Zhisheng Bi Shufang Ma Jianliang Zhang Bo Liu Jiaqi Li |
| author_facet | Chunhe Jiang Kejiang Li Zhisheng Bi Shufang Ma Jianliang Zhang Bo Liu Jiaqi Li |
| author_sort | Chunhe Jiang |
| collection | DOAJ |
| description | Molten slag has different properties depending on its composition. The relationship between its composition, structure, and properties has been the focus of attention in industrial manufacturing processes. This review describes the atomistic scale mechanisms by which oxides of different compositions affect the properties and structure of slag, and depicts the current state of research in the atomic simulation of molten slag. At present, the research on the macroscopic properties of molten slag mainly focuses on viscosity, free-running temperature, melting point, and desulphurization capacity. Regulating the composition has become the most direct and effective way to control slag properties. Analysis of the microevolution mechanism is the fundamental way to grasp the macroscopic properties. The microstructural evolution mechanism, especially at the atomic and nanoscale of molten slag, is reviewed from three aspects: basic oxides, acidic oxides, and amphoteric oxides. The evolution of macroscopic properties is analyzed in depth through the evolution of the atomic structure. Resolution of the macroscopic properties of molten slag by the atomic structure plays a crucial role in the development of fundamental theories of physicochemistry. |
| first_indexed | 2024-04-25T00:23:27Z |
| format | Article |
| id | doaj.art-855f344742384e748cd7a3b48bd024c1 |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-04-25T00:23:27Z |
| publishDate | 2024-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-855f344742384e748cd7a3b48bd024c12024-03-12T16:51:41ZengMDPI AGNanomaterials2079-49912024-03-0114546410.3390/nano14050464Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation MethodsChunhe Jiang0Kejiang Li1Zhisheng Bi2Shufang Ma3Jianliang Zhang4Bo Liu5Jiaqi Li6Technical Support Center for Prevention and Control of Disastrous Accidents in Metal Smelting, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaAetna Tianlong Tungsten Molybdenum Technology Co., Ltd., No. 11 Fenghui Middle Road, Haidian District, Beijing 100094, ChinaSchool of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Advanced Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Advanced Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaMolten slag has different properties depending on its composition. The relationship between its composition, structure, and properties has been the focus of attention in industrial manufacturing processes. This review describes the atomistic scale mechanisms by which oxides of different compositions affect the properties and structure of slag, and depicts the current state of research in the atomic simulation of molten slag. At present, the research on the macroscopic properties of molten slag mainly focuses on viscosity, free-running temperature, melting point, and desulphurization capacity. Regulating the composition has become the most direct and effective way to control slag properties. Analysis of the microevolution mechanism is the fundamental way to grasp the macroscopic properties. The microstructural evolution mechanism, especially at the atomic and nanoscale of molten slag, is reviewed from three aspects: basic oxides, acidic oxides, and amphoteric oxides. The evolution of macroscopic properties is analyzed in depth through the evolution of the atomic structure. Resolution of the macroscopic properties of molten slag by the atomic structure plays a crucial role in the development of fundamental theories of physicochemistry.https://www.mdpi.com/2079-4991/14/5/464molten slagmolecular dynamicnano structureatomistic structure |
| spellingShingle | Chunhe Jiang Kejiang Li Zhisheng Bi Shufang Ma Jianliang Zhang Bo Liu Jiaqi Li Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods Nanomaterials molten slag molecular dynamic nano structure atomistic structure |
| title | Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods |
| title_full | Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods |
| title_fullStr | Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods |
| title_full_unstemmed | Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods |
| title_short | Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods |
| title_sort | developments in atomistic and nano structure evolution mechanisms of molten slag using atomistic simulation methods |
| topic | molten slag molecular dynamic nano structure atomistic structure |
| url | https://www.mdpi.com/2079-4991/14/5/464 |
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