Temperature dependence of simplexes and shell core in liquid aluminosilicate

The structural evolution of liquid aluminosilicate under influence of temperature has been investigated details via the distribution of V‐simplex, O‐simplex, T‐simplex, SC‐particle, and SC‐cluster. The result shows that the free space regions are formed by V‐simplex with the radius increases as temp...

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Veröffentlicht in:Vietnam journal of chemistry 2019-06, Vol.57 (3), p.296-303
Hauptverfasser: Van Dung, Mai, Tuan, Nguyen Manh, Van Hong, Tran, Kien, Pham Huu, Vinh, Le The
Format: Artikel
Sprache:eng
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Zusammenfassung:The structural evolution of liquid aluminosilicate under influence of temperature has been investigated details via the distribution of V‐simplex, O‐simplex, T‐simplex, SC‐particle, and SC‐cluster. The result shows that the free space regions are formed by V‐simplex with the radius increases as temperature increases. In addition, a large number of O‐simplex, T‐simplex, SC‐particle, and SC‐cluster was found in the model. The average radius of O‐simplex, T‐simplex, and the core of SC‐particle significantly increases with temperature. The result also indicates that the number SC‐cluster depends on the number SC‐particle and temperature. There is a small change in the number of SC‐cluster consists more one SC‐particle as temperature increases. Our result has been also compared with previous studies.
ISSN:0866-7144
2572-8288
2572-8288
DOI:10.1002/vjch.201900005