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Molecular Dynamic Regulation of Na and Mg Ions on Lithium Carbonate Crystallisation in Salt Lakes

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摘要 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).
作者 MA Yanfang XIANG Shaoji CUI Zhenhua LI Kanshe ZHANG Zhihong 马艳芳;XIANG Shaoji;CUI Zhenhua;李侃社;ZHANG Zhihong(Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources,Qinghai Institute of Salt Lakes,Chinese Academy of Sciences,Xining 810008,China;Qinghai Province Key Laboratory of Resources and Chemistry of Salt Lakes,Xining 810008,China;Chemistry and Chemical Engineering College of Xi'an University of Science and Technology,Xi'an 710054,China;Innovation Academy for Green Manufacture,Chinese Academy of Sciences,Beijing 100190,China;Key Laboratory of Organofluorine Chemistry,Shanghai Institute of Organic Chemistry,University of Chinese Academy of Sciences,Chinese Academy of Sciences,Shanghai 200032,China)
出处 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2021年第1期22-28,共7页 武汉理工大学学报(材料科学英文版)
基金 Funded by the 2017 CAS“Light of West China”Program,Innovation Academy for Green Manufacture,CAS(No.IAGM2020C01) Key R&D and Transformation Projects in Qinghai Province(No.2019-GX-167)。
作者简介 MA Yanfang(马艳芳),Assoc.Researcher,E-mail:mayanfang@sl.ac.cn;Corresponding author:LI Kanshe(李侃社),Assoc.Prof.,Ph D,E-mail:likanshe@xust.edu.cn。
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