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| Molecular Dynamics Simulation of Structure and Transport Properties of Titanium Slag Melt: A Review |
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Received:January 15, 2024
Revised:January 21, 2024
Accepted:January 25, 2024
Published Online:May 01, 2024
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| DOI：doi：10.3969/j.issn.1007-7545.2024.06.005 |
| KeyWord:molecular dynamics simulation; high titanium slag; titanium-containing blast furnace slag; titanium-containing continuous casting mold flux; melt structure; transport property |
| Author | Institution |
| YAO Mingcan |
江西理工大学冶金工程学院 |
| FU Fangzhon |
江西理工大学冶金工程学院 |
| HU Jin |
江西理工大学冶金工程学院 |
| YAN Kang |
江西理工大学冶金工程学院 |
| FAN Helin |
江西理工大学冶金工程学院 |
| WANG Ruixiang |
江西理工大学冶金工程学院 |
| XU Zhifeng |
江西理工大学冶金工程学院 |
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| Abstract: |
| The efficient preparation of high-grade titanium slag (TiO2 content ≥90%) is not only the key to the production of high-quality titanium products, but also has become an urgent need for the development of titanium metallurgy industry in China. The control of the transfer property of titanium slag in ilmenite reduction melting process is the key to the efficient preparation of high grade titanium slag. Scholars at home and abroad have used molecular dynamics simulation method to study the structural evolution and transport properties of titanium slag melt, and have made remarkable progress, which proves the effectiveness of molecular dynamics simulation method in the study of titanium slag melt. The method of molecular dynamics simulation has obvious advantages in studying the structure and properties of titanium slag melt. It can not only investigate the structural parameters, transport properties and related microscopic details of titanium slag melt, but also is not limited by test conditions (high temperature, high corrosion and high chemical activity). Through molecular dynamics simulation, the abundant structural information and important transport properties of titanium slag melt can be obtained, and the problems existing in the testing of the structure and physical properties of titanium slag melt can be avoided. Finally, considering the complexity of the composition and structure of metallurgical melt, the existing problems were summarized, and the application of molecular dynamics simulation in the study of melt structure and transport properties was prospected. |
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