Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations
For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magne...
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Gespeichert in:
| Autor*in: |
Rakhmatullin, Aydar [verfasserIn] Šimko, František [verfasserIn] Zanghi, Didier [verfasserIn] Netriová, Zuzana [verfasserIn] Polovov, Ilya B. [verfasserIn] Dimiev, Ayrat [verfasserIn] Maksimtsev, Konstantin V. [verfasserIn] Bessada, Catherine [verfasserIn] Korenko, Michal [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2024 |
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| Schlagwörter: |
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| Anmerkung: |
© The Author(s) 2024 |
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| Übergeordnetes Werk: |
Enthalten in: Rare metals - Nonferrous Metals Society of China, 1989, 43(2024), 7 vom: 25. Apr., Seite 3356-3369 |
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| Übergeordnetes Werk: |
volume:43 ; year:2024 ; number:7 ; day:25 ; month:04 ; pages:3356-3369 |
| Links: |
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| DOI / URN: |
10.1007/s12598-024-02690-0 |
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| Katalog-ID: |
SPR056021208 |
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| 520 | |a For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract | ||
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10.1007/s12598-024-02690-0 doi (DE-627)SPR056021208 (SPR)s12598-024-02690-0-e DE-627 ger DE-627 rakwb eng 670 VZ Rakhmatullin, Aydar verfasserin (orcid)0000-0002-7328-5081 aut Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2024 For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract Scandium (dpeaa)DE-He213 Alloy (dpeaa)DE-He213 Molten salts (dpeaa)DE-He213 NMR (dpeaa)DE-He213 Molecular dynamics (dpeaa)DE-He213 Šimko, František verfasserin (orcid)0000-0003-2390-1349 aut Zanghi, Didier verfasserin aut Netriová, Zuzana verfasserin aut Polovov, Ilya B. verfasserin aut Dimiev, Ayrat verfasserin aut Maksimtsev, Konstantin V. verfasserin aut Bessada, Catherine verfasserin aut Korenko, Michal verfasserin aut Enthalten in Rare metals Nonferrous Metals Society of China, 1989 43(2024), 7 vom: 25. Apr., Seite 3356-3369 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:43 year:2024 number:7 day:25 month:04 pages:3356-3369 https://dx.doi.org/10.1007/s12598-024-02690-0 X:SPRINGER Resolving-System kostenfrei Volltext SYSFLAG_0 GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2024 7 25 04 3356-3369 |
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10.1007/s12598-024-02690-0 doi (DE-627)SPR056021208 (SPR)s12598-024-02690-0-e DE-627 ger DE-627 rakwb eng 670 VZ Rakhmatullin, Aydar verfasserin (orcid)0000-0002-7328-5081 aut Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2024 For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract Scandium (dpeaa)DE-He213 Alloy (dpeaa)DE-He213 Molten salts (dpeaa)DE-He213 NMR (dpeaa)DE-He213 Molecular dynamics (dpeaa)DE-He213 Šimko, František verfasserin (orcid)0000-0003-2390-1349 aut Zanghi, Didier verfasserin aut Netriová, Zuzana verfasserin aut Polovov, Ilya B. verfasserin aut Dimiev, Ayrat verfasserin aut Maksimtsev, Konstantin V. verfasserin aut Bessada, Catherine verfasserin aut Korenko, Michal verfasserin aut Enthalten in Rare metals Nonferrous Metals Society of China, 1989 43(2024), 7 vom: 25. Apr., Seite 3356-3369 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:43 year:2024 number:7 day:25 month:04 pages:3356-3369 https://dx.doi.org/10.1007/s12598-024-02690-0 X:SPRINGER Resolving-System kostenfrei Volltext SYSFLAG_0 GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2024 7 25 04 3356-3369 |
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10.1007/s12598-024-02690-0 doi (DE-627)SPR056021208 (SPR)s12598-024-02690-0-e DE-627 ger DE-627 rakwb eng 670 VZ Rakhmatullin, Aydar verfasserin (orcid)0000-0002-7328-5081 aut Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2024 For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract Scandium (dpeaa)DE-He213 Alloy (dpeaa)DE-He213 Molten salts (dpeaa)DE-He213 NMR (dpeaa)DE-He213 Molecular dynamics (dpeaa)DE-He213 Šimko, František verfasserin (orcid)0000-0003-2390-1349 aut Zanghi, Didier verfasserin aut Netriová, Zuzana verfasserin aut Polovov, Ilya B. verfasserin aut Dimiev, Ayrat verfasserin aut Maksimtsev, Konstantin V. verfasserin aut Bessada, Catherine verfasserin aut Korenko, Michal verfasserin aut Enthalten in Rare metals Nonferrous Metals Society of China, 1989 43(2024), 7 vom: 25. Apr., Seite 3356-3369 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:43 year:2024 number:7 day:25 month:04 pages:3356-3369 https://dx.doi.org/10.1007/s12598-024-02690-0 X:SPRINGER Resolving-System kostenfrei Volltext SYSFLAG_0 GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2024 7 25 04 3356-3369 |
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10.1007/s12598-024-02690-0 doi (DE-627)SPR056021208 (SPR)s12598-024-02690-0-e DE-627 ger DE-627 rakwb eng 670 VZ Rakhmatullin, Aydar verfasserin (orcid)0000-0002-7328-5081 aut Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2024 For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract Scandium (dpeaa)DE-He213 Alloy (dpeaa)DE-He213 Molten salts (dpeaa)DE-He213 NMR (dpeaa)DE-He213 Molecular dynamics (dpeaa)DE-He213 Šimko, František verfasserin (orcid)0000-0003-2390-1349 aut Zanghi, Didier verfasserin aut Netriová, Zuzana verfasserin aut Polovov, Ilya B. verfasserin aut Dimiev, Ayrat verfasserin aut Maksimtsev, Konstantin V. verfasserin aut Bessada, Catherine verfasserin aut Korenko, Michal verfasserin aut Enthalten in Rare metals Nonferrous Metals Society of China, 1989 43(2024), 7 vom: 25. Apr., Seite 3356-3369 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:43 year:2024 number:7 day:25 month:04 pages:3356-3369 https://dx.doi.org/10.1007/s12598-024-02690-0 X:SPRINGER Resolving-System kostenfrei Volltext SYSFLAG_0 GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2024 7 25 04 3356-3369 |
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10.1007/s12598-024-02690-0 doi (DE-627)SPR056021208 (SPR)s12598-024-02690-0-e DE-627 ger DE-627 rakwb eng 670 VZ Rakhmatullin, Aydar verfasserin (orcid)0000-0002-7328-5081 aut Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations 2024 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2024 For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract Scandium (dpeaa)DE-He213 Alloy (dpeaa)DE-He213 Molten salts (dpeaa)DE-He213 NMR (dpeaa)DE-He213 Molecular dynamics (dpeaa)DE-He213 Šimko, František verfasserin (orcid)0000-0003-2390-1349 aut Zanghi, Didier verfasserin aut Netriová, Zuzana verfasserin aut Polovov, Ilya B. verfasserin aut Dimiev, Ayrat verfasserin aut Maksimtsev, Konstantin V. verfasserin aut Bessada, Catherine verfasserin aut Korenko, Michal verfasserin aut Enthalten in Rare metals Nonferrous Metals Society of China, 1989 43(2024), 7 vom: 25. Apr., Seite 3356-3369 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:43 year:2024 number:7 day:25 month:04 pages:3356-3369 https://dx.doi.org/10.1007/s12598-024-02690-0 X:SPRINGER Resolving-System kostenfrei Volltext SYSFLAG_0 GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 43 2024 7 25 04 3356-3369 |
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Enthalten in Rare metals 43(2024), 7 vom: 25. Apr., Seite 3356-3369 volume:43 year:2024 number:7 day:25 month:04 pages:3356-3369 |
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Rakhmatullin, Aydar @@aut@@ Šimko, František @@aut@@ Zanghi, Didier @@aut@@ Netriová, Zuzana @@aut@@ Polovov, Ilya B. @@aut@@ Dimiev, Ayrat @@aut@@ Maksimtsev, Konstantin V. @@aut@@ Bessada, Catherine @@aut@@ Korenko, Michal @@aut@@ |
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The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. 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Rakhmatullin, Aydar |
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Rakhmatullin, Aydar ddc 670 misc Scandium misc Alloy misc Molten salts misc NMR misc Molecular dynamics Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations |
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670 VZ Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations Scandium (dpeaa)DE-He213 Alloy (dpeaa)DE-He213 Molten salts (dpeaa)DE-He213 NMR (dpeaa)DE-He213 Molecular dynamics (dpeaa)DE-He213 |
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Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations |
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Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations |
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Rakhmatullin, Aydar Šimko, František Zanghi, Didier Netriová, Zuzana Polovov, Ilya B. Dimiev, Ayrat Maksimtsev, Konstantin V. Bessada, Catherine Korenko, Michal |
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structural correlation and chemistry of molten naf–$ scf_{3} $ with dissolved metal aluminium: tg/dta, xrd, nmr and molecular dynamics simulations |
| title_auth |
Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations |
| abstract |
For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract © The Author(s) 2024 |
| abstractGer |
For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract © The Author(s) 2024 |
| abstract_unstemmed |
For the first time, the mechanism of metal aluminum dissolution in NaF–$ ScF_{3} $ eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis (DTA), high temperature and solid-state nuclear magnetic resonance (NMR), and X-ray diffraction (XRD) coupled with the molecular dynamic simulations. The formation of an insoluble $ Al_{3} $Sc alloy in molten (NaF–$ ScF_{3} $)eut system was proven, and the chemical mechanism of this aluminothermic $ Al_{3} $Sc alloy production was elucidated. Corresponding ex situ examinations bring to light the formation of $ NaScF_{4} $ and solid solution of $ Na_{3} $(Al,Sc)$ F_{6} $ in cooled bath. The molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity, density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis. Graphical abstract © The Author(s) 2024 |
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Structural correlation and chemistry of molten NaF–$ ScF_{3} $ with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations |
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Šimko, František Zanghi, Didier Netriová, Zuzana Polovov, Ilya B. Dimiev, Ayrat Maksimtsev, Konstantin V. Bessada, Catherine Korenko, Michal |
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Šimko, František Zanghi, Didier Netriová, Zuzana Polovov, Ilya B. Dimiev, Ayrat Maksimtsev, Konstantin V. Bessada, Catherine Korenko, Michal |
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| score |
7.401078 |