Compressibility of 2M1 muscovite-phlogopite series minerals
Muscovite (Ms) and phlogopite (Phl) belong to the 2:1 dioctahedral and trioctahedral layer silicates, respectively, and are the end members of Ms-Phl series minerals. This series was studied in the 2M1 polytype and modeled by the substitution of three Mg2+ cations in the Phl octahedral sites by two Al3+ and one vacancy, increasing the substitution up to reach the Ms. The series was computationally examined at DFT level as a function of pressure to 9 GPa. Cell parameters as a function of pressure and composition, and bulk moduli as a function of the composition agrees with the existing experimental results. The mixing Gibbs free energy was calculated as a function of composition. From these data, approximated solvi were calculated at increasing pressure. A gap of solubility is found, decreasing the gap of solubility at high pressure.
Références
- Titre
- Compressibility of 2M1 muscovite-phlogopite series minerals
- Type de publication
- Article de revue
- Année de publication
- 2019
- Auteurs
- Hernández-Laguna, Alfonso, Perez del Valle Carlos, Hernandez-Haro Noemi, Ortega-Castro Joaquin, Munoz-Santiburcio Daniel, Vidal Isaac, Sánchez-Navas Antonio, Escamilla-Roa Elizabeth, and Sainz-Diaz Claro Ignacio
- Revue
- Journal of Molecular Modeling
- Volume
- 25
- Pagination
- 341
- ISSN
- 0948-5023
Soumis le 29 juillet 2020