Abstract
The dynamics properties of ThF4-based fluoride molten salts were systematically investigated by using molecular dynamic simulation with a polarizable force field. The effects of ThF4 concentration and solvent on the dynamics properties were discussed. For ThF4-LiF mixtures with different ThF4 concentrations, the diffusion coefficients of all the ions decrease, and the viscosity increases as the concentration of ThF4 increases. There exists a clear linear relationship between the logarithm of viscosity and the reciprocal of temperature. For ThF4 dissolved in LiF, FLiNaK, KF, NaF, and FLiBe, the diffusion coefficients of Th4+ and F− in different solvents basically follow the order of LiF > FLiNaK > KF > NaF > FLiBe, and the viscosities for the mixtures basically follow the order of ThF4-NaF > ThF4-FLiBe > ThF4-LiF ≈ ThF4-KF > ThF4-FLiNaK when the temperature is lower than 1400 K. However, the viscosity of ThF4-LiF is higher than that of ThF4-KF beyond 1400 K.
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