| Original Articles |
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MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCI(1:l) SYSTEM |
| SHAO Jun;SHU Guangyu;XU Hua*;CHEN Nianyi* |
| Shanghai University of Science and Technology, Shanghai
*Shanyhai Institute of Metallurgy, Academia Sinica, Shanghai |
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| Cite this article: |
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SHAO Jun, SHU Guangyu, XU Hua et al 1989 Chin. Phys. Lett. 6 448-450 |
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Abstract The partial RDF, the partial molar energy of mixing and the diffusion coefficient of Li+, K+, F- and Cl- of LiF-KCl(1:l) system have been calculated by computerized simulation of molecular dynamics method. The results are in agreement with the experimental values. The regularities about the local structure are discussed based on the results of calculation.
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| Keywords:
61.25.Ks
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Published: 01 October 1989
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