Carbon-bearing silicate melt at deep mantle conditions

Knowledge about the incorporation and role of carbon in silicate magmas is crucial for our understanding of the deep mantle processes. CO2 bearing silicate melting and its relevance in the upper mantle regime have been extensively explored. Here we report first-principles molecular dynamics simulati...

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Autores principales:	Dipta B. Ghosh, Suraj K. Bajgain, Mainak Mookherjee, Bijaya B. Karki
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/c6caffb628494cf498aa0d35e33887c3
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spelling	oai:doaj.org-article:c6caffb628494cf498aa0d35e33887c32021-12-02T12:32:29ZCarbon-bearing silicate melt at deep mantle conditions10.1038/s41598-017-00918-x2045-2322https://doaj.org/article/c6caffb628494cf498aa0d35e33887c32017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00918-xhttps://doaj.org/toc/2045-2322Knowledge about the incorporation and role of carbon in silicate magmas is crucial for our understanding of the deep mantle processes. CO2 bearing silicate melting and its relevance in the upper mantle regime have been extensively explored. Here we report first-principles molecular dynamics simulations of MgSiO3 melt containing carbon in three distinct oxidation states - CO2, CO, and C at conditions relevant for the whole mantle. Our results show that at low pressures up to 15 GPa, the carbon dioxide speciation is dominated by molecular form and carbonate ions. At higher pressures, the dominant species are silicon-polyhedral bound carbonates, tetrahedral coordination, and polymerized di-carbonates. Our results also indicate that CO2 component remains soluble in the melt at high pressures and the solution is nearly ideal. However, the elemental carbon and CO components show clustering of carbon atoms in the melt at high pressures, hinting towards possible exsolution of carbon from silicate melt at reduced oxygen contents. Although carbon lowers the melt density, the effect is modest at high pressures. Hence, it is likely that silicate melt above and below the mantle transition zone, and atop the core-mantle boundary could efficiently sequester significant amounts of carbon without being gravitationally unstable.Dipta B. GhoshSuraj K. BajgainMainak MookherjeeBijaya B. KarkiNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Dipta B. Ghosh Suraj K. Bajgain Mainak Mookherjee Bijaya B. Karki Carbon-bearing silicate melt at deep mantle conditions
description	Knowledge about the incorporation and role of carbon in silicate magmas is crucial for our understanding of the deep mantle processes. CO2 bearing silicate melting and its relevance in the upper mantle regime have been extensively explored. Here we report first-principles molecular dynamics simulations of MgSiO3 melt containing carbon in three distinct oxidation states - CO2, CO, and C at conditions relevant for the whole mantle. Our results show that at low pressures up to 15 GPa, the carbon dioxide speciation is dominated by molecular form and carbonate ions. At higher pressures, the dominant species are silicon-polyhedral bound carbonates, tetrahedral coordination, and polymerized di-carbonates. Our results also indicate that CO2 component remains soluble in the melt at high pressures and the solution is nearly ideal. However, the elemental carbon and CO components show clustering of carbon atoms in the melt at high pressures, hinting towards possible exsolution of carbon from silicate melt at reduced oxygen contents. Although carbon lowers the melt density, the effect is modest at high pressures. Hence, it is likely that silicate melt above and below the mantle transition zone, and atop the core-mantle boundary could efficiently sequester significant amounts of carbon without being gravitationally unstable.
format	article
author	Dipta B. Ghosh Suraj K. Bajgain Mainak Mookherjee Bijaya B. Karki
author_facet	Dipta B. Ghosh Suraj K. Bajgain Mainak Mookherjee Bijaya B. Karki
author_sort	Dipta B. Ghosh
title	Carbon-bearing silicate melt at deep mantle conditions
title_short	Carbon-bearing silicate melt at deep mantle conditions
title_full	Carbon-bearing silicate melt at deep mantle conditions
title_fullStr	Carbon-bearing silicate melt at deep mantle conditions
title_full_unstemmed	Carbon-bearing silicate melt at deep mantle conditions
title_sort	carbon-bearing silicate melt at deep mantle conditions
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/c6caffb628494cf498aa0d35e33887c3
work_keys_str_mv	AT diptabghosh carbonbearingsilicatemeltatdeepmantleconditions AT surajkbajgain carbonbearingsilicatemeltatdeepmantleconditions AT mainakmookherjee carbonbearingsilicatemeltatdeepmantleconditions AT bijayabkarki carbonbearingsilicatemeltatdeepmantleconditions
_version_	1718394061291782144

Carbon-bearing silicate melt at deep mantle conditions

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