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First-Principles Molecular Dynamics Simulation on High Silica Content Na(3)AlF(6)–Al(2)O(3)–SiO(2) Molten Salt

[Image: see text] A new method for the disposal of the spent refractory materials by adding them directly to electrolytic cells requires our better knowledge of the Na(3)AlF(6)–Al(2)O(3)–SiO(2) melt system. The development of computational materials science offers us a new way to avoid the limitatio...

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Detalles Bibliográficos
Autores principales:	Feng, Yuan, Li, Mao, Hou, Wenyuan, Cheng, Benjun, Wang, Jiaoru, Li, Hesong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7876864/ https://www.ncbi.nlm.nih.gov/pubmed/33585753 http://dx.doi.org/10.1021/acsomega.0c05339

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