The Coordination of F Ions around Al and Ca Ions in Molten Aluminosilicate Systems
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概要
- 論文の詳細を見る
The structure of CaO–CaF2–Al2O3–SiO2 systems with various F/O ratios has been investigated by using molecular dynamics simulation to evaluate the effect of F ions on the polymerization of melts. F ions in the melt are found to be mainly coordinated to Ca ions but not to Al ions. The formation of loosely bonded Ca–2F complexes in the CaO–CaF2–Al2O3–SiO2 melts is confirmed since the cumulative coordination number for F around the Ca ion at around the equilibrated bond length is approximately 2. Due to the formation of Ca–2F complexes, Ca ions available to the network modifier are decreased so that the degree of the polymerization of Si units in CaO–CaF2–Al2O3–SiO2 system is increased. The amount of aluminate tetrahedra embedded in silicate three-dimensional network unit is gradually decreased by the substitution of F ions for O ions because the amount of the silicate three-dimensional network unit is increased due to the decrease of Ca ions available to the network modifier.
- 社団法人 日本鉄鋼協会の論文
- 2007-05-15
著者
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IGUCHI Manabu
Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University
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Sasaki Yasushi
Department of Cardiology, Takashima General Hospital
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SASAKI Yasushi
Grad Sch. of Eng., Tohoku Univ.
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Iguchi Manabu
Div. Of Materials Sci. And Engineering Graduate School Of Engineering Hokkaido Univ.
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Hino Mitsutaka
Department of Metallurgy, Graduate School of Engineering, Tohoku University
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HINO Mitsutaka
Graduate School of Engineering, Tohoku University
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Hino Mitsutaka
Dep. Of Metallurgy Graduate School Of Engineering Tohoku Univ.
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Iguchi M
Division Of Materials Science And Engineering Graduate School Of Engineering Hokkaido University
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Hino Mitsutaka
Department Of Metallurgy Faculty Of Engineering Tohoku University
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Iguchi Manabu
Department Of Mechanical Engineering Fukui University
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Iguchi Manabu
Division Of Material Science And Engineering Graduate School Of Engineering Hokkaido University
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Sasaki Y
Pohang Univ. Sci. And Technol. Pohang Kor
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Sasaki Yasushi
Graduate School Of Engineering Hokkaido University
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Sasaki Y
Department Of Metallurgy Graduate School Of Engineering Tohoku University
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Sasaki Yasushi
Graduate Institute Of Ferrous Technology (gift) Pohang University Of Science And Technology (postech
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Sasaki Yasushi
Grad Sch. Of Eng. Tohoku Univ.
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Iguchi Manabu
Division Of Materals Science And Engineering Graduate School Of Engineering Hokkaido University
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Iguchi Manabu
Division Of Maetrials Science And Engineering Graduate School Of Engineering Hokkaido University
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Sasaki Yasushi
Department Of Cardiology Takashima General Hospital
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SASAKI Yasushi
Department of Agricultural Chemistry, University of Yamaguchi
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