| COMPUTERIZED SIMULATION OF MOLTEN LiFKCl SOLUTION BY MONTE CARLO METHOD——RADIAL DISTRIBUTION FUNCTION AND THERMODYNAMIC PROPERTIES |
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| 引用本文： | 陈念贻,徐驰,李通化,江乃雄.COMPUTERIZED SIMULATION OF MOLTEN LiFKCl SOLUTION BY MONTE CARLO METHOD——RADIAL DISTRIBUTION FUNCTION AND THERMODYNAMIC PROPERTIES[J].中国科学B辑(英文版),1987(10). |
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| 作者姓名： | 陈念贻 徐驰 李通化 江乃雄 |
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| 作者单位： | Shanghai Institute of Metallurgy，Academia Sinica，Shanghai Institute of Metallurgy，Academia Sinica，Tongji University，Shanghai，Shanghai Institute of Computational Technology |
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| 基金项目： | Project supported by the Science Fund of Academia Sinica. |
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| 摘 要： | 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.
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