Computer Simulation of Multicomponent Molten Metallurgical Slags
- Authors: Dyul’dina E.V.1, Gel’chinskii B.R.2, Selivanov V.N.1
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Affiliations:
- Magnitogorsk State Technical University
- Institute of Metallurgy, Ural Branch, Russian Academy of Sciences
- Issue: Vol 2019, No 2 (2019)
- Pages: 119-121
- Section: Article
- URL: https://journals.rcsi.science/0036-0295/article/view/172922
- DOI: https://doi.org/10.1134/S0036029519020071
- ID: 172922
Cite item
Abstract
Based on experimental data on density and an ionic bond model, we are the first to perform a molecular dynamics simulation of the multicomponent oxide–oxyfluoride metallurgical slag-forming SiO2–CaO–Al2O3–MgO–CaF2–Na2O–K2O–FeO system, to discuss the obtained results, and to compare them with reported experimental and calculated data. The developed computer model demonstrates a weak temperature dependence of the melt structure under study. The diffusion mobilities of fluorine and alkali metal ions are found to be higher than those of other elements.
About the authors
E. V. Dyul’dina
Magnitogorsk State Technical University
Author for correspondence.
Email: e.dyuldina@mail.ru
Russian Federation, Magnitogorsk, 455000
B. R. Gel’chinskii
Institute of Metallurgy, Ural Branch, Russian Academy of Sciences
Email: e.dyuldina@mail.ru
Russian Federation, Yekaterinburg, 620016
V. N. Selivanov
Magnitogorsk State Technical University
Email: e.dyuldina@mail.ru
Russian Federation, Magnitogorsk, 455000