Low-dimensional network formation in molten sodium carbonate
Molten carbonates are highly inviscid liquids characterized by low melting points and high solubility of rare earth elements and volatile molecules. An understanding of the structure and related properties of these intriguing liquids has been limited to date. We report the results of a study of molt...
| Main Authors: | , , , , , , , |
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| Format: | Journal article |
| Published: |
Nature Publishing Group
2016
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| _version_ | 1826285296340172800 |
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| author | Wilson, M Wilding, M Alderman, O Benmore, C Weber, R Parise, J Tamalonis, A Skinner, L |
| author_facet | Wilson, M Wilding, M Alderman, O Benmore, C Weber, R Parise, J Tamalonis, A Skinner, L |
| author_sort | Wilson, M |
| collection | OXFORD |
| description | Molten carbonates are highly inviscid liquids characterized by low melting points and high solubility of rare earth elements and volatile molecules. An understanding of the structure and related properties of these intriguing liquids has been limited to date. We report the results of a study of molten sodium carbonate (Na2CO3) which combines high energy X-ray diffraction, containerless techniques and computer simulation to provide insight into the liquid structure. Total structure factors (F^x(Q)) are collected on the laser-heated carbonate spheres suspended in flowing gases of varying composition in an aerodynamic levitation furnace. The respective partial structure factor contributions to F^x (Q) are obtained by performing molecular dynamics simulations treating the carbonate anions as flexible entities. The carbonate liquid structure is found to be heavily temperature-dependent. At low temperatures a low-dimensional carbonate chain network forms, at T = 1100K for example ∼55% of the C atoms form part of a chain. The mean chain lengths decrease as temperature is increased and as the chains become shorter the rotation of the carbonate anions becomes more rapid enhancing the diffusion of Na+ ions. |
| first_indexed | 2024-03-07T01:26:42Z |
| format | Journal article |
| id | oxford-uuid:9238d077-4fd4-46cb-b7fe-eb0786983438 |
| institution | University of Oxford |
| last_indexed | 2024-03-07T01:26:42Z |
| publishDate | 2016 |
| publisher | Nature Publishing Group |
| record_format | dspace |
| spelling | oxford-uuid:9238d077-4fd4-46cb-b7fe-eb07869834382022-03-26T23:24:00ZLow-dimensional network formation in molten sodium carbonateJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:9238d077-4fd4-46cb-b7fe-eb0786983438Symplectic Elements at OxfordNature Publishing Group2016Wilson, MWilding, MAlderman, OBenmore, CWeber, RParise, JTamalonis, ASkinner, LMolten carbonates are highly inviscid liquids characterized by low melting points and high solubility of rare earth elements and volatile molecules. An understanding of the structure and related properties of these intriguing liquids has been limited to date. We report the results of a study of molten sodium carbonate (Na2CO3) which combines high energy X-ray diffraction, containerless techniques and computer simulation to provide insight into the liquid structure. Total structure factors (F^x(Q)) are collected on the laser-heated carbonate spheres suspended in flowing gases of varying composition in an aerodynamic levitation furnace. The respective partial structure factor contributions to F^x (Q) are obtained by performing molecular dynamics simulations treating the carbonate anions as flexible entities. The carbonate liquid structure is found to be heavily temperature-dependent. At low temperatures a low-dimensional carbonate chain network forms, at T = 1100K for example ∼55% of the C atoms form part of a chain. The mean chain lengths decrease as temperature is increased and as the chains become shorter the rotation of the carbonate anions becomes more rapid enhancing the diffusion of Na+ ions. |
| spellingShingle | Wilson, M Wilding, M Alderman, O Benmore, C Weber, R Parise, J Tamalonis, A Skinner, L Low-dimensional network formation in molten sodium carbonate |
| title | Low-dimensional network formation in molten sodium carbonate |
| title_full | Low-dimensional network formation in molten sodium carbonate |
| title_fullStr | Low-dimensional network formation in molten sodium carbonate |
| title_full_unstemmed | Low-dimensional network formation in molten sodium carbonate |
| title_short | Low-dimensional network formation in molten sodium carbonate |
| title_sort | low dimensional network formation in molten sodium carbonate |
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