Structure and viscosity of CaO–Al2O3–B2O3–BaO slags with varying mass ratio of BaO to CaO
The structure of CaO–Al2O3–B2O3–BaO glassy slags with varying mass ratio of BaO to CaO has been investigated by Raman spectroscopy, 11B and 27Al magic angle spinning nuclear magnetic resonance (MAS‐NMR) spectroscopy and atomic pair distribution function (PDF). 11B MAS‐NMR spectra reveal the dominant...
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Veröffentlicht in: | Journal of the American Ceramic Society 2021-09, Vol.104 (9), p.4505-4517 |
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creator | Singh, Harishchandra Shu, Qifeng King, Graham Liang, Ziqing Wang, Zhifeng Cao, Wei Huttula, Marko Fabritius, Timo |
description | The structure of CaO–Al2O3–B2O3–BaO glassy slags with varying mass ratio of BaO to CaO has been investigated by Raman spectroscopy, 11B and 27Al magic angle spinning nuclear magnetic resonance (MAS‐NMR) spectroscopy and atomic pair distribution function (PDF). 11B MAS‐NMR spectra reveal the dominant coordination of boron as trigonal. Both simulations on 11B MAS‐NMR spectra and Raman spectroscopy indicate the presence of orthoborate as the primary borate group with a few borate groups with one bridging oxygen and minor four‐coordinated boron sites. 27Al MAS‐NMR and PDF show the Al coordination as tetrahedral. Raman spectral study shows that the transverse vibration of AlIV–O–AlIV and AlIV–O–BIII, stretching vibration of aluminate structural units and vibration of orthoborate and pyroborate structural groups. A broader distribution of Al–O bond lengths in PDF also supports the enhanced network connectivity. Viscosity measurements show the increase in viscosity of molten slags with increasing mass ratio of BaO to CaO, which further attributes to the enhanced degree of polymerization of the aluminate network. |
doi_str_mv | 10.1111/jace.17877 |
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Both simulations on 11B MAS‐NMR spectra and Raman spectroscopy indicate the presence of orthoborate as the primary borate group with a few borate groups with one bridging oxygen and minor four‐coordinated boron sites. 27Al MAS‐NMR and PDF show the Al coordination as tetrahedral. Raman spectral study shows that the transverse vibration of AlIV–O–AlIV and AlIV–O–BIII, stretching vibration of aluminate structural units and vibration of orthoborate and pyroborate structural groups. A broader distribution of Al–O bond lengths in PDF also supports the enhanced network connectivity. Viscosity measurements show the increase in viscosity of molten slags with increasing mass ratio of BaO to CaO, which further attributes to the enhanced degree of polymerization of the aluminate network.</description><identifier>ISSN: 0002-7820</identifier><identifier>EISSN: 1551-2916</identifier><identifier>DOI: 10.1111/jace.17877</identifier><language>eng</language><publisher>Columbus: Wiley Subscription Services, Inc</publisher><subject>Aluminum oxide ; atomic pair distribution function ; Barium oxides ; Boron oxides ; Calcium oxide ; Coordination ; Degree of polymerization ; Distribution functions ; NMR ; Nuclear magnetic resonance ; Raman spectroscopy ; Slag ; slags ; Spectra ; Spectrum analysis ; structure ; Transverse oscillation ; Viscosity ; Viscosity measurement</subject><ispartof>Journal of the American Ceramic Society, 2021-09, Vol.104 (9), p.4505-4517</ispartof><rights>2021 The Authors. published by Wiley Periodicals LLC on behalf of American Ceramic Society (ACERS)</rights><rights>2021. 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Both simulations on 11B MAS‐NMR spectra and Raman spectroscopy indicate the presence of orthoborate as the primary borate group with a few borate groups with one bridging oxygen and minor four‐coordinated boron sites. 27Al MAS‐NMR and PDF show the Al coordination as tetrahedral. Raman spectral study shows that the transverse vibration of AlIV–O–AlIV and AlIV–O–BIII, stretching vibration of aluminate structural units and vibration of orthoborate and pyroborate structural groups. A broader distribution of Al–O bond lengths in PDF also supports the enhanced network connectivity. Viscosity measurements show the increase in viscosity of molten slags with increasing mass ratio of BaO to CaO, which further attributes to the enhanced degree of polymerization of the aluminate network.</description><subject>Aluminum oxide</subject><subject>atomic pair distribution function</subject><subject>Barium oxides</subject><subject>Boron oxides</subject><subject>Calcium oxide</subject><subject>Coordination</subject><subject>Degree of polymerization</subject><subject>Distribution functions</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Raman spectroscopy</subject><subject>Slag</subject><subject>slags</subject><subject>Spectra</subject><subject>Spectrum analysis</subject><subject>structure</subject><subject>Transverse oscillation</subject><subject>Viscosity</subject><subject>Viscosity measurement</subject><issn>0002-7820</issn><issn>1551-2916</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>24P</sourceid><sourceid>WIN</sourceid><recordid>eNotUMtOwzAQtBBIlMKFL7DEOcVeJ45zLFF5qVIOwNmyU6e4SptiO6164x_4Q74Ep3Qvs6udnR0NQreUTGis-5WqzYTmIs_P0IhmGU2goPwcjQghkOQCyCW68n4VR1qIdITkW3B9HXpnsNos8M76uvM2HHDX4FJVv98_0xYqFvHhBKrCvlVLj_c2fOKdcge7WeK18h47FWw3XA6k0A0C1-iiUa03Nycco4_H2Xv5nMyrp5dyOk-2wGmeNNFyqouFaXKqNGEqQgoi4zrljNRxBYXIAAxTxIhMFIwsqAYtCGhVa8bG6O5fd-u6r974IFdd7zbxpYSMc5ICL0hk0X_W3rbmILfOrqN_SYkc0pNDevKYnnydlrNjx_4A99BlEQ</recordid><startdate>202109</startdate><enddate>202109</enddate><creator>Singh, Harishchandra</creator><creator>Shu, Qifeng</creator><creator>King, Graham</creator><creator>Liang, Ziqing</creator><creator>Wang, Zhifeng</creator><creator>Cao, Wei</creator><creator>Huttula, Marko</creator><creator>Fabritius, Timo</creator><general>Wiley Subscription Services, Inc</general><scope>24P</scope><scope>WIN</scope><scope>7QQ</scope><scope>7SR</scope><scope>8FD</scope><scope>JG9</scope><orcidid>https://orcid.org/0000-0001-5434-3314</orcidid></search><sort><creationdate>202109</creationdate><title>Structure and viscosity of CaO–Al2O3–B2O3–BaO slags with varying mass ratio of BaO to CaO</title><author>Singh, Harishchandra ; Shu, Qifeng ; King, Graham ; Liang, Ziqing ; Wang, Zhifeng ; Cao, Wei ; Huttula, Marko ; Fabritius, Timo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p2617-f7874b9def71ab03a71a42856b4630c4b9298522e3a0e858930d1b2b802bacb33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Aluminum oxide</topic><topic>atomic pair distribution function</topic><topic>Barium oxides</topic><topic>Boron oxides</topic><topic>Calcium oxide</topic><topic>Coordination</topic><topic>Degree of polymerization</topic><topic>Distribution functions</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Raman spectroscopy</topic><topic>Slag</topic><topic>slags</topic><topic>Spectra</topic><topic>Spectrum analysis</topic><topic>structure</topic><topic>Transverse oscillation</topic><topic>Viscosity</topic><topic>Viscosity measurement</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Singh, Harishchandra</creatorcontrib><creatorcontrib>Shu, Qifeng</creatorcontrib><creatorcontrib>King, Graham</creatorcontrib><creatorcontrib>Liang, Ziqing</creatorcontrib><creatorcontrib>Wang, Zhifeng</creatorcontrib><creatorcontrib>Cao, Wei</creatorcontrib><creatorcontrib>Huttula, Marko</creatorcontrib><creatorcontrib>Fabritius, Timo</creatorcontrib><collection>Wiley-Blackwell Open Access Titles</collection><collection>Wiley Free Content</collection><collection>Ceramic Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Journal of the American Ceramic Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Singh, Harishchandra</au><au>Shu, Qifeng</au><au>King, Graham</au><au>Liang, Ziqing</au><au>Wang, Zhifeng</au><au>Cao, Wei</au><au>Huttula, Marko</au><au>Fabritius, Timo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structure and viscosity of CaO–Al2O3–B2O3–BaO slags with varying mass ratio of BaO to CaO</atitle><jtitle>Journal of the American Ceramic Society</jtitle><date>2021-09</date><risdate>2021</risdate><volume>104</volume><issue>9</issue><spage>4505</spage><epage>4517</epage><pages>4505-4517</pages><issn>0002-7820</issn><eissn>1551-2916</eissn><abstract>The structure of CaO–Al2O3–B2O3–BaO glassy slags with varying mass ratio of BaO to CaO has been investigated by Raman spectroscopy, 11B and 27Al magic angle spinning nuclear magnetic resonance (MAS‐NMR) spectroscopy and atomic pair distribution function (PDF). 11B MAS‐NMR spectra reveal the dominant coordination of boron as trigonal. Both simulations on 11B MAS‐NMR spectra and Raman spectroscopy indicate the presence of orthoborate as the primary borate group with a few borate groups with one bridging oxygen and minor four‐coordinated boron sites. 27Al MAS‐NMR and PDF show the Al coordination as tetrahedral. Raman spectral study shows that the transverse vibration of AlIV–O–AlIV and AlIV–O–BIII, stretching vibration of aluminate structural units and vibration of orthoborate and pyroborate structural groups. A broader distribution of Al–O bond lengths in PDF also supports the enhanced network connectivity. Viscosity measurements show the increase in viscosity of molten slags with increasing mass ratio of BaO to CaO, which further attributes to the enhanced degree of polymerization of the aluminate network.</abstract><cop>Columbus</cop><pub>Wiley Subscription Services, Inc</pub><doi>10.1111/jace.17877</doi><tpages>13</tpages><orcidid>https://orcid.org/0000-0001-5434-3314</orcidid><oa>free_for_read</oa></addata></record> |
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subjects | Aluminum oxide atomic pair distribution function Barium oxides Boron oxides Calcium oxide Coordination Degree of polymerization Distribution functions NMR Nuclear magnetic resonance Raman spectroscopy Slag slags Spectra Spectrum analysis structure Transverse oscillation Viscosity Viscosity measurement |
title | Structure and viscosity of CaO–Al2O3–B2O3–BaO slags with varying mass ratio of BaO to CaO |
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