2011
ACLN
|
G.Moussaed, V.Sarou-Kanian, M.Gobet, M.Salanne, C.Simon, A.L.Rollet, C.Bessada, 'Structure and Dynamics of alkali- and alkaline earth molten fluorides by High Temperature NMR and Molecular Dynamics', Proceeding of the 9th International Symposium on Molten Salts Chemistry and Technology (2011)
Structural and dynamical properties of alkali and alkaline earth fluoride molten mixtures have been investigated by combining High Temperature Nuclear Magnetic Resonance (HT NMR) spectroscopy and Molecular Dynamics (MD) simulations. In this paper, we focused on LiF-CaF2 and LiF-MgF2 systems. For both ones, we have measured the chemical shifts in melts for different compositions just above the liquidus temperature given by the phase diagram. We present for the first time 25Mg NMR data obtained over the whole range of composition from 0 to 100% MgF2 and up to 1300°C. For a better description, we have measured the self-diffusion coefficients of lithium (DLi) and fluorine (DF) depending on composition and temperature. Finally, we show the results obtained by MD simulations which provide a good agreement with HT NMR measurements.
|