F. Gaillard, M. Malki, G. Iacono-marziano, M. Pichavant, and B. Scaillet, Carbonatite Melts and Electrical Conductivity in the Asthenosphere, Science, vol.322, pp.1363-1365, 2008.
URL : https://hal.archives-ouvertes.fr/insu-00343685

A. P. Jones, M. Genge, and L. Carmody, Carbonate Melts and Carbonatites. Rev. Mineral. Geochem, vol.75, pp.289-322, 2013.

F. Kaminsky, R. Wirth, . Schreiber, and R. Thomas, Nyerereite and nahcolite inclusions in diamond: evidence for lower-mantle carbonatitic melts, Mineral. Mag, vol.73, pp.797-816, 2009.

F. Stoppa, A. P. Jones, and V. Sharygin, Nyerereite from carbonatite rocks at Vulture volcano: implications for mantle metasomatism and petrogenesis of alkali carbonate melts. Cent, Euro. J. Geosci, vol.1, pp.131-151, 2009.

F. Kaminsky, Mineralogy of the lower mantle: A review of 'super-deep' mineral inclusions in diamond, Earth Sci. Rev, vol.110, pp.127-147, 2012.

R. Dasgupta and M. M. Hirschmann, The deep carbon cycle and melting in Earth's interior Earth Planet, Sci. Lett, vol.298, pp.1-13, 2010.

R. Dasgupta and M. M. Hirschmann, Melting in Earth's deep upper mantle caused by carbon dioxide, Nature, vol.440, pp.659-662, 2006.

D. Chery, V. Lair, and M. Cassir, CO 2 electrochemical reduction into CO or C in molten carbonates: a thermodynamic point of view, Electrochim. Acta, vol.160, pp.74-81, 2015.

D. Chery, V. Albin, V. Lair, and M. Cassir, Thermodynamic and experimental approach of electrochemical reduction of CO 2 in molten carbonates, Int. J. Hydrogen Energy, vol.39, pp.12330-12339, 2014.

Y. Kanai, K. Fukunaga, K. Terasaka, and S. Fujioka, Mass transfer in molten salt and suspended molten salt in bubble column, Chem. Eng. Sci, vol.100, pp.153-159, 2013.

P. Claes, D. Moyaux, and D. Peeters, Solubility and Solvation of Carbon Dioxide in the Molten Li 2 CO 3 /Na 2 CO 3 /K 2 CO 3 (43.5:31.5:25.0 mol-%) Eutectic Mixture at 973 K. I. Experimental Part, Eur. J. Inorg. Chem, pp.583-588, 1999.

D. Peeters, D. Moyaux, and &. Claes, Solubility and Solvation of Carbon Dioxide in the Molten Li 2 CO 3 /Na 2 CO 3 /K 2 CO 3 (43.5:31.5:25.0 mol-%) Eutectic Mixture at 973 K. II. Theoretical Part, Eur. J. Inorg. Chem, pp.589-592, 1999.

. P. Burna, F. Grein, and J. Passmore, Density functional theory (DFT) calculations on the structures and stabilities of, X=H or Li). Can. J. Chem, vol.89, pp.671-687, 2011.

G. Frapper and J. Saillard, Search for New Allotropic Forms of Carbon Dioxide and Carbon Disulfide: A Density Functional Study of CX 2 -Based Oligomers (X= O, S), J. Am. Chem. Soc, vol.122, pp.5367-5370, 2000.

L. Zhang, First spectroscopic identification of pyrocarbonate for high CO 2 flux membranes containing highly interconnected three dimensional ionic channels, Phys. Chem. Chem. Phys, vol.15, pp.13147-13152, 2013.

K. Zeller, P. Schuler, and P. Haiss, The Hidden Equilibrium in Aqueous Sodium Carbonate Solutions -Evidence for the Formation of the Dicarbonate Anion, Eur. J. Inorg. Chem, pp.168-172, 2005.

R. Vuilleumier, A. Seitsonen, N. Sator, and B. Guillot, Structure, equation of state and transport properties of molten calcium carbonate (CaCO 3 ) by atomistic simulations, Geochim. Cosmochim. Ac, vol.141, pp.547-566, 2014.

R. Vuilleumier, A. P. Seitsonen, N. Sator, and B. Guillot, Carbon dioxide in silicate melts at upper mantle conditions: Insights from atomistic simulations, Chem. Geol. xx, xx-xx, 2015.
URL : https://hal.archives-ouvertes.fr/hal-01130246

,

A. M. Saitta, F. Saija, and P. V. Giaquinta, Ab Initio Molecular Dynamics Study of Dissociation of Water under an Electric Field, Phys. Rev. Lett, vol.108, p.207801, 2012.

Z. Kelemen, An Abnormal N-Heterocyclic Carbene-Carbon Dioxide Adduct from Imidazolium Acetate Ionic Liquids: The Importance of Basicity, Chem. Eur. J, vol.20, pp.13002-13008, 2014.

D. Chery, V. Lair, and M. Cassir, Overview on CO 2 valorization: challenge of molten carbonates, Front. Energy Res, vol.3, p.43, 2015.

S. Nosé, A molecular-dynamics method for simulations in the canonical ensemble, Mol. Phys, vol.52, pp.255-268, 1984.

S. Nosé, A unified formulation of the constant temperature molecular-dynamics methods, J. Chem. Phys, vol.81, pp.511-519, 1984.

K. Suito, Phase relations of CaCO 3 at high pressure and high temperature, Am. Mineral, vol.86, pp.997-1002, 2001.

A. V. Spivak, Y. A. Litvin, S. V. Ovsyannikov, N. A. Dubrovinskaia, and L. S. Dubrovinsky, Stability and breakdown of Ca 13 CO 3 melt associated with formation of 13 C-diamond in static high pressure experiments up to 43 GPa and 3900 K, Solid State Chem, vol.191, pp.102-106, 2012.

J. Hutter, M. Iannuzzi, F. Schiffmann, and J. Vandevondele, CP2K: atomistic simulations of condensed matter systems, WIREs Comput. Mol. Sci, vol.4, pp.15-25, 2014.

J. Vandevondele, QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves, Comp. Phys. Commun, vol.167, pp.103-128, 2005.

G. Lippert, J. Hutter, and M. Parrinello, A hybrid gaussian and plane wave density functional scheme, Mol. Phys, vol.92, pp.477-487, 1997.

S. Goedecker, M. Teter, and J. Hutter, Separable dual-space Gaussian pseudopotentials, Phys. Rev. B, vol.54, pp.1703-1710, 1996.

C. Hartwigsen, S. Goedecker, and J. Hutter, Relativistic separable dual-space Gaussian pseudopotentials from H to Rn, Phys. Rev. B, vol.58, pp.3641-3662, 1998.

M. Krack, Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals, Theor. Chem. Acc, vol.114, pp.145-152, 2005.

J. Vandevondele, The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water, J. Chem. Phys, vol.122, p.14515, 2005.

J. Vandevondele and J. Hutter, Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases, J. Chem. Phys, vol.127, p.114105, 2007.

A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic behavior, Phys. Rev. A, vol.38, pp.3098-3100, 1988.

C. Lee, W. Yang, and R. G. Parr, Development of the Colle-Salvetti correlation energy formula into a functional of the electron density, Phys. Rev. B, vol.37, pp.785-789, 1988.

S. Grimme and . Semiempirical, GGA-type density functional constructed with a long-range dispersion correction, J. Comput. Chem, vol.27, pp.1787-1799, 2006.

T. H. Cormen, C. E. Leiserson, R. L. Rivest, and C. Stein, , 1990.

D. Laage and J. T. Hynes, A Molecular Jump Mechanism of Water Reorientation, Science, vol.311, pp.832-835, 2006.
URL : https://hal.archives-ouvertes.fr/hal-00143095

W. Humphrey, A. Dalke, and K. Schulten, VMD -Visual Molecular Dynamics, J. Molec. Graphics, vol.14, pp.33-38, 1996.