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The structure of molten LiF-KCl solution has been simulated by Monte Carlo method.The partial radial distribution function of ions,the molar volume,enthalpy and the heat of mixing of LiF-KCl melt have been calculated. Some results of calculation agree with experimental data.The results of calculation indicate that the average distance between Li~+ and F~- ions decreases significantly after the mixing of molten LiF with KCl, and the free volume distribution of the LiF-KCl melt is far from uniform.
The structure of molten LiF-KCl solution has been simulated by Monte Carlo method. The partial radial distribution function of ions, the molar volume, enthalpy and the heat of mixing of LiF-KCl melt have been calculated. Some results of calculation agree with experimental data.The results of the analysis indicate that the average distance between Li ~ + and F ~ - ions decreases significantly after the mixing of molten LiF with KCl, and the free volume distribution of the LiF-KCl melt is far from uniform.