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Properties of molten CaCO3 at high pressure

J. Hudspeth1,

1Sorbonne Université, CNRS-INSU, Institut des Sciences de la Terre de Paris, 75005 Paris, France

C. Sanloup1,

1Sorbonne Université, CNRS-INSU, Institut des Sciences de la Terre de Paris, 75005 Paris, France

Y. Kono2

2HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, USA

Affiliations  |  Corresponding Author  |  Cite as  |  Funding information

Hudspeth, J., Sanloup, C., Kono, Y. (2018) Properties of molten CaCO3 at high pressure. Geochem. Persp. Let. 7, 17–21.

European Research Council, DOE- NNSA, DOE office of Science, DOE-BES/DMSE, National Science Foundation.

Geochemical Perspectives Letters v7  |  doi: 10.7185/geochemlet.1813
Received 17 January 2018  |  Accepted 05 April 2018  |  Published 30 April 2018
Copyright © The Authors

Published by the European Association of Geochemistry
under Creative Commons License CC BY-NC-ND 4.0




Figure 1 (a) Structure factors, S(q), of molten CaCO3; curves are stacked to see better the evolution with increased P-T conditions (given on the right panel); the main change affecting S(q) (Fig. 1a) is the shift of the first sharp diffraction peak (FSDP) towards higher reciprocal distances, up to 2.28 Å-1 at 8.7 GPa which corresponds in the real space to a characteristic mid-range order distance, , of 2.76 Å. (b) Corresponding radial distribution functions (plain curves), g(r), compared to MD simulations (dashed curve; Vuilleumier et al., 2014

Vuilleumier, R., Seitsonen, A., Sator, N., Guillot, B. (2014) Structure, equation of state and transport properties of molten calcium carbonate (CaCO3) by atomistic simulations. Geochimica et Cosmochimica Acta 141, 547-566.

).
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Figure 2 Density of molten CaCO3 from experiments (circles: this work, squares: Dobson et al., 1996

Dobson, D.P., Jones, A.P., Rabe, R., Sekine, T., Kurita, K., Taniguchi, T., Kondo, T., Kato, T., Shimomura, O., Urakawa, S. (1996) In-situ measurement of viscosity and density of carbonate melts at high pressure. Earth and Planetary Science Letters 143, 207-215.

) and theoretical calculations (Genge et al., 1995

Genge, M.J., Price, G.D., Jones, A.P. (1995) Molecular dynamics simulations of CaCO3 melts to mantle pressures and temperatures: implications for carbonatite magmas. Earth and Planetary Science Letters 131, 225-238.

; Vuilleumier et al., 2014

Vuilleumier, R., Seitsonen, A., Sator, N., Guillot, B. (2014) Structure, equation of state and transport properties of molten calcium carbonate (CaCO3) by atomistic simulations. Geochimica et Cosmochimica Acta 141, 547-566.

; Li et al., 2017

Li, Z., Li, J., Lange, R., Liu, J., Militzer, B. (2017) Determination of calcium carbonate and sodium carbonate melting curves up to Earth’s transition zone pressures with implications for the deep carbon cycle. Earth and Planetary Science Letters 457, 395-402.

), compared to the seismological PREM model (Dziewonski and Anderson, 1981

Dziewonski, A.M., Anderson, D.L. (1981) Preliminary reference Earth model. Physics of the Earth and Planetary Interiors 25, 297-356.

), crystalline calcite V (Li et al., 2017

Li, Z., Li, J., Lange, R., Liu, J., Militzer, B. (2017) Determination of calcium carbonate and sodium carbonate melting curves up to Earth’s transition zone pressures with implications for the deep carbon cycle. Earth and Planetary Science Letters 457, 395-402.

), molten hydrous and dry rhyolite (Malfait et al., 2014

Malfait, W.J., Seifert, R., Petitgirard, S., Perrillat, J.-P., Mezouar, M., Ota, T., Nakamura, E., Lerch, P., Sanchez-Valle, C. (2014) Supervolcano eruptions driven by melt buoyancy in large silicic magma chambers. Nature Geoscience 7, 122-125.

), molten hydrous and dry basalt (Sakamaki et al., 2006

Sakamaki, T., Suzuki, A., Ohtani, E. (2006) Stability of hydrous melt at the base of the Earth’s upper mantle. Nature 439, 192-194.

).
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Figure 3 Bulk modulus of molten CaCO3 as a function of P (black: 1773 K, red: 1923 K, orange: 2073 K, orange empty circles: 1773 K and 1923 K data corrected for T = 2073 K).
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