| COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li,KF,Cl SYSTEM BY MOLECULAR DYNAMIC METHOD |
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| 作者姓名： | SHAO Jun Shanghai University of Science and Technology Shanghai ChinaXU Hua CHEN Nianyi Shanghai Institute of Metallurgy Academia Sinica Shanghai China SHAO Jun Associate Professor Dept.of Chemistry Shanghai University of Science and Technology Shanghai China |
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| 作者单位： | SHAO Jun Shanghai University of Science and Technology，Shanghai，ChinaXU Hua CHEN Nianyi Shanghai Institute of Metallurgy，Academia Sinica，Shanghai，China SHAO Jun Associate Professor，Dept.of Chemistry，Shanghai University of Science and Technology，Shanghai 201800，China |
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| 摘 要： | The structure and properties of molten salt solution o J Li,K|F,Cl system have been investigedby computerized simulation of molecular dynamic method.The partial RDF,the partial molarenergy of mixing and the diffusion coeffients of Li~+,K~+,F~- and Cl~- have been calculated.The results are in agreement with the experimental values.The regularities of the distributionof ions and mieroscopic holes are discussed based on the results of computerized simulation.
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| 收稿时间： | 1990-10-11 |
| 修稿时间： | 1990-10-11 |
COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li,KF,Cl SYSTEM BY MOLECULAR DYNAMIC METHOD |
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| SHAO Jun Shanghai University of Science and Technology,Shanghai,ChinaXU Hua CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China SHAO Jun Associate Professor,Dept.of Chemistry,Shanghai University of Science and Technology,Shanghai ,China.COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li,KF,Cl SYSTEM BY MOLECULAR DYNAMIC METHOD[J].Acta Metallurgica Sinica(English Letters),1990,3(10):221-225. |
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| Authors: | SHAO Jun Shanghai University of Science and Technology Shanghai ChinaXU Hua CHEN Nianyi |
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| Affiliation: | SHAO Jun Shanghai University of Science and Technology,Shanghai,ChinaXU Hua CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China SHAO Jun Associate Professor,Dept.of Chemistry,Shanghai University of Science and Technology,Shanghai,China |
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| Abstract: | The structure and properties of molten salt solution o J Li,K|F,Cl system have been investiged by computerized simulation of molecular dynamic method.The partial RDF,the partial molar energy of mixing and the diffusion coeffients of Li~+,K~+,F~- and Cl~- have been calculated. The results are in agreement with the experimental values.The regularities of the distribution of ions and mieroscopic holes are discussed based on the results of computerized simulation. |
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| Keywords: | alkali halide molten salt molecular dynamic method computerized simulation |
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