Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags
The effect of the addition of B<sub>2</sub>O<sub>3</sub> and the CaO/Al<sub>2</sub>O<sub>3</sub> ratios on the CaO–Al<sub>2</sub>O<sub>3</sub>–B<sub>2</sub>O<sub>3</sub> melts’ structure was fully analyze...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-07-01
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| Series: | Metals |
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| Online Access: | https://www.mdpi.com/2075-4701/12/8/1255 |
| _version_ | 1827626526989877248 |
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| author | Xiaobo Zhang Chengjun Liu Maofa Jiang |
| author_facet | Xiaobo Zhang Chengjun Liu Maofa Jiang |
| author_sort | Xiaobo Zhang |
| collection | DOAJ |
| description | The effect of the addition of B<sub>2</sub>O<sub>3</sub> and the CaO/Al<sub>2</sub>O<sub>3</sub> ratios on the CaO–Al<sub>2</sub>O<sub>3</sub>–B<sub>2</sub>O<sub>3</sub> melts’ structure was fully analyzed by molecular dynamics (MD) simulations. The results show that, with the increase in CaO/Al<sub>2</sub>O<sub>3</sub> ratios, the charge compensation for [AlO<sub>4</sub>]<sup>5−</sup> tetrahedron changed from the oxygen tricluster structure to the charge provided by Ca<sup>2+</sup>, and the structure of [AlO<sub>4</sub>]<sup>5−</sup> tetrahedron was stabilized. The addition of B<sub>2</sub>O<sub>3</sub> reduced the degree of polymerization of the aluminate melt, which, in turn, lowered the melt viscosity; in the systems with CaO/Al<sub>2</sub>O<sub>3</sub> mole ratio less than 1, the added B<sub>2</sub>O<sub>3</sub> mainly existed in the form of [BO<sub>3</sub>]<sup>3−</sup>, which reduced the symmetry and the strength of the melt network structures; in the higher CaO/Al<sub>2</sub>O<sub>3</sub> ratio systems, the depolymerization ability of the addition of B<sub>2</sub>O<sub>3</sub> on aluminate network structures was enhanced with the increase in CaO/Al<sub>2</sub>O<sub>3</sub> ratios, and the overall degree of polymerization of the melt decreased. The viscosity measurement shows that B<sub>2</sub>O<sub>3</sub> lowers the viscosity of CaO–Al<sub>2</sub>O<sub>3</sub> melts, which was consistent with the results predicted by MD simulations. |
| first_indexed | 2024-03-09T12:56:57Z |
| format | Article |
| id | doaj.art-6dba2244b39244bb960259ce507a05e5 |
| institution | Directory Open Access Journal |
| issn | 2075-4701 |
| language | English |
| last_indexed | 2024-03-09T12:56:57Z |
| publishDate | 2022-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Metals |
| spelling | doaj.art-6dba2244b39244bb960259ce507a05e52023-11-30T21:58:44ZengMDPI AGMetals2075-47012022-07-01128125510.3390/met12081255Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based SlagsXiaobo Zhang0Chengjun Liu1Maofa Jiang2Key Laboratory for Ecological Metallurgy of Multimetallic Ores, Ministry of Education, Shenyang 110819, ChinaKey Laboratory for Ecological Metallurgy of Multimetallic Ores, Ministry of Education, Shenyang 110819, ChinaKey Laboratory for Ecological Metallurgy of Multimetallic Ores, Ministry of Education, Shenyang 110819, ChinaThe effect of the addition of B<sub>2</sub>O<sub>3</sub> and the CaO/Al<sub>2</sub>O<sub>3</sub> ratios on the CaO–Al<sub>2</sub>O<sub>3</sub>–B<sub>2</sub>O<sub>3</sub> melts’ structure was fully analyzed by molecular dynamics (MD) simulations. The results show that, with the increase in CaO/Al<sub>2</sub>O<sub>3</sub> ratios, the charge compensation for [AlO<sub>4</sub>]<sup>5−</sup> tetrahedron changed from the oxygen tricluster structure to the charge provided by Ca<sup>2+</sup>, and the structure of [AlO<sub>4</sub>]<sup>5−</sup> tetrahedron was stabilized. The addition of B<sub>2</sub>O<sub>3</sub> reduced the degree of polymerization of the aluminate melt, which, in turn, lowered the melt viscosity; in the systems with CaO/Al<sub>2</sub>O<sub>3</sub> mole ratio less than 1, the added B<sub>2</sub>O<sub>3</sub> mainly existed in the form of [BO<sub>3</sub>]<sup>3−</sup>, which reduced the symmetry and the strength of the melt network structures; in the higher CaO/Al<sub>2</sub>O<sub>3</sub> ratio systems, the depolymerization ability of the addition of B<sub>2</sub>O<sub>3</sub> on aluminate network structures was enhanced with the increase in CaO/Al<sub>2</sub>O<sub>3</sub> ratios, and the overall degree of polymerization of the melt decreased. The viscosity measurement shows that B<sub>2</sub>O<sub>3</sub> lowers the viscosity of CaO–Al<sub>2</sub>O<sub>3</sub> melts, which was consistent with the results predicted by MD simulations.https://www.mdpi.com/2075-4701/12/8/1255molecular dynamicsCaO–Al<sub>2</sub>O<sub>3</sub>-based slagsB<sub>2</sub>O<sub>3</sub> additionCaO/Al<sub>2</sub>O<sub>3</sub> ratiomelt structureviscosity |
| spellingShingle | Xiaobo Zhang Chengjun Liu Maofa Jiang Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags Metals molecular dynamics CaO–Al<sub>2</sub>O<sub>3</sub>-based slags B<sub>2</sub>O<sub>3</sub> addition CaO/Al<sub>2</sub>O<sub>3</sub> ratio melt structure viscosity |
| title | Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags |
| title_full | Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags |
| title_fullStr | Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags |
| title_full_unstemmed | Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags |
| title_short | Effect of B<sub>2</sub>O<sub>3</sub> Addition and CaO/Al<sub>2</sub>O<sub>3</sub> Ratios on Melt Structure and Viscosity of CaO–Al<sub>2</sub>O<sub>3</sub>-Based Slags |
| title_sort | effect of b sub 2 sub o sub 3 sub addition and cao al sub 2 sub o sub 3 sub ratios on melt structure and viscosity of cao al sub 2 sub o sub 3 sub based slags |
| topic | molecular dynamics CaO–Al<sub>2</sub>O<sub>3</sub>-based slags B<sub>2</sub>O<sub>3</sub> addition CaO/Al<sub>2</sub>O<sub>3</sub> ratio melt structure viscosity |
| url | https://www.mdpi.com/2075-4701/12/8/1255 |
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