Surface ionic coordination of Al₂O₃–CaO–based molten slag induced by structural relaxation

Suzuki, Masanori; Asano, Yusuke; Ishii, Yoshiki

Journal of the American Ceramic Society, 2024, 107(8), 5624-5636

アクセス数:326件（2025-08-28 17:33 集計）

固定URL: https://hdl.handle.net/11094/95749

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タイトル
Surface ionic coordination of Al₂O₃–CaO–based molten slag induced by structural relaxation
著者
NRID
1000020610728 1000020610728
ORCID
0000-0003-1601-2842 0000-0003-1601-2842
researchmap permalink
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Scopus Author ID
56297002300 56297002300
著者名
Suzuki, Masanori
著者名
Asano, Yusuke
NRID
1000020806939 1000020806939
著者名
Ishii, Yoshiki
キーワード等
molecular dynamics
slags
surface modification
X-ray methods
内容
Suzuki M., Asano Y., Ishii Y.. Surface ionic coordination of Al₂O₃–CaO–based molten slag induced by structural relaxation. Journal of the American Ceramic Society , (2024); https://doi.org/10.1111/jace.19818.
抄録
The surface tensions of molten oxides depend strongly on the structural relaxation of the surface region. The mechanism of surface structural relaxation for molten oxide slags is complex. The surface tension of calcium aluminate slag is minimal at an intermediate composition, although the critical reason has not been identified. Here, two novel approaches were used to evaluate the features of surface ionic structures in the molten state for the range of 25–50 mol% Al₂O₃: (1) X-ray absorption analysis of oxygen and cationic elements in glass samples after surface relaxation treatment, and (2) molecular dynamics simulations, based on a polarizable-ion model, of the ionic distribution in a molten slag with vacuum/melt interfaces. The results indicate that bridging oxygen (BO) ions are preferred to non-BOs in the surface region. In calcium aluminate slag, BOs are formed by connecting two AlO₄ tetrahedrons with charge compensation of two Al³⁺ ions with one Ca²⁺ ion. Additionally, the above approaches were used to qualify the effect on the surface ionic structure of adding 1–20 mol% SiO₂ to the calcium aluminate slag. The results indicated that the SiO₄ tetrahedrons incorporate the vertex connection with AlO₄ tetrahedrons to form BOs in the surface region.
出版者
John Wiley and Sons Inc
収録物名
Journal of the American Ceramic Society
巻(号)
107(8)
ページ
5624-5636
刊行年月
2024-04-05
言語
英語
ハンドルURL
https://hdl.handle.net/11094/95749
PISSN
00027820
eISSN
15512916
関連情報 (isIdenticalTo)
DOI (出版社版)
https://doi.org/10.1111/jace.19818
アクセス権
open access
権利情報
This article is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
出版タイプ
Version of Record
カテゴリ
学術雑誌論文 Journal Article