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Carbon dioxide (CO₂) is a prevalent volatile in the Earth’s interior, but its effect on the structural properties of silicate melts remains insufficiently understood. In this study, we explored the structure of carbon bearing Na2O–SiO2 melts up to ~5 GPa using in-situ synchrotron X-ray diffraction (XRD) and classical molecular dynamics (MD) simulation. Both XRD and MD results showed that the intermediate-range structure of Na2Si3O7 melts was not modified by the addition of CO2. In contrast, MD simulation found that carbonate ions depolymerized the Si–O network structure in SiO2 melts by the formation of Si–CO32−–Si. It is suggested that the presence of network carbonate ions may contribute to the decrease of viscosity in the fully polymerized melts (NBO/T = 0).

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Keyword: シリカ, 液体, 高圧, MDシミュレーション

Date published: 2025-03-17

Publisher: Japan Association of Mineralogical Sciences

Journal:

• Journal of Mineralogical and Petrological Sciences (ISSN: 13456296) vol. 120 issue. 1 241126L

Funding:

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5456

First published URL: https://doi.org/10.2465/jmps.241126l

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Updated at: 2025-04-30 11:23:41 +0900

Published on MDR: 2025-04-30 12:23:12 +0900