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Molecular Dynamic Regulation of Na and Mg Ions on Lithium Carbonate Crystallisation in Salt Lakes
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作者 马艳芳 xiang shaoji +2 位作者 CUI Zhenhua 李侃社 ZHANG Zhihong 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2021年第1期22-28,共7页
Lithium carbonate (Li_(2)CO_(3)) was synthesised by adding sodium (Na) and magnesium (Mg) ions into a lithium chloride solution at different concentrations,followed by the addition of an appropriate sodium carbonate s... Lithium carbonate (Li_(2)CO_(3)) was synthesised by adding sodium (Na) and magnesium (Mg) ions into a lithium chloride solution at different concentrations,followed by the addition of an appropriate sodium carbonate solution.Then,the morphology,purity and particle size of Li_(2)CO_(3) crystals were investigated.The Na and Mg ions had negligible and remarkable effects,respectively,on the product purity;however they both greatly influenced its morphology.Their effects on the nucleation and growth rates,the radial distribution function and the diffusion behaviour of the synthesised Li_(2)CO_(3) were investigated via molecular dynamics methods;the Na ions slowed down the crystal nucleation and growth rates,while the Mg ions accelerated them.Moreover,the Mg ions rendered the system short-range ordered and long-range disordered and also increased the diffusion coefficient.The results of this study showed that Mg ions are one of the most important factors influencing the purity and yield of Li_(2)CO_(3). 展开更多
关键词 SODIUM MAGNESIUM PURITY particle size diffusion coefficient analytical kinetics
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