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

Number of Access:343（2025-09-28 04:45 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/95749

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Title
Surface ionic coordination of Al₂O₃–CaO–based molten slag induced by structural relaxation
Creator
NRID
1000020610728 1000020610728
ORCID
0000-0003-1601-2842 0000-0003-1601-2842
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Scopus Author ID
56297002300 56297002300
CreatorName
Suzuki, Masanori
CreatorName
Asano, Yusuke
NRID
1000020806939 1000020806939
CreatorName
Ishii, Yoshiki
Subject
molecular dynamics
slags
surface modification
X-ray methods
Description
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.
Abstract
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.
Publisher
John Wiley and Sons Inc
Source Title
Journal of the American Ceramic Society
Volume (Issue)
107(8)
Page
5624-5636
Date of Issued
2024-04-05
Language
English
Handle URL
https://hdl.handle.net/11094/95749
PISSN
00027820
eISSN
15512916
Relation.isIdenticalTo
DOI (Publisher Version)
https://doi.org/10.1111/jace.19818
Access Rights
open access
CopyRight
This article is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
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Category
学術雑誌論文 Journal Article