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
金属学报(英文版)
The structure and properties of molten salt solution o J Li,KF,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.
关键词:
alkali halide
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null
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null
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