The role of Ca and Na ions in the effect of F ion on silicate polymerization in molten silicate system
SCIE
SCOPUS
- Title
- The role of Ca and Na ions in the effect of F ion on silicate polymerization in molten silicate system
- Authors
- Sasaki, Y; Iguchi, M; Hino, M
- Date Issued
- 2007-01
- Publisher
- IRON STEEL INST JAPAN KEIDANREN KAIKAN
- Abstract
- For CaO-CaF2-SiO2 and CaO-CaF2-Na2O-SiO2 Systems, the effect of Na and Ca cation ions on the polymerization of silicate slags containing F ions and their structures are investigated by using molecular dynamics simulation. The substitution of F for O in the CaO-SiO2 melts enhances the polymerization of the melt due to the formation of loosely bonded Ca-2F complexes. The substitution of Na ions for Ca ions without changing the total number of F, O and Si ions in the CaO-CaF2-Na2O-SiO2 melts has a negligible effect on the distribution of silicate complex anions. For the CaO-CaF2-Na2O-SiO2 system, the existence of the loosely bonded Ca-2F and Na-F complex are confirmed from the running coordination number variation. The relative amounts of the loosely bonded Ca-2F and Na-F complex in the CaO-CaF2-Na2O-SiO2 system are depended on Na/Ca ratio. It is found that the loosely bonded Ca-2F and Na-F complexes in the CaO-CaF2-Na2O-SiO2 melts are not randomly distributed but are clustered.
- Keywords
- F ions; clustering; polymerization; molecular dynamics simulation; running coordination number; MOLECULAR-DYNAMICS; GLASSES; SITES; VISCOSITY; FLUORINE
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/28476
- DOI
- 10.2355/isijinternational.47.638
- ISSN
- 0915-1559
- Article Type
- Article
- Citation
- ISIJ INTERNATIONAL, vol. 47, no. 5, page. 638 - 642, 2007-01
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- There are no files associated with this item.
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