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

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Abstract

Lithium carbonate (Li2CO3) 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 Li2CO3 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 Li2CO3 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 Li2CO3.

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Authors and Affiliations

  1. Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources, Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining, 810008, China

    Yanfang Ma  (马艳芳) & Zhihong Zhang

  2. Qinghai Province Key Laboratory of Resources and Chemistry of Salt Lakes, Xining, 810008, China

    Yanfang Ma  (马艳芳) & Zhihong Zhang

  3. Chemistry and Chemical Engineering College of Xi’an University of Science and Technology, Xi’an, 710054, China

    Yanfang Ma  (马艳芳) & Kanshe Li  (李侃社)

  4. Innovation Academy for Green Manufacture, Chinese Academy of Sciences, Beijing, 100190, China

    Yanfang Ma  (马艳芳), Shaoji Xiang, Zhenhua Cui & Zhihong Zhang

  5. Key Laboratory of Organofluorine Chemistry, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Shanghai, 200032, China

    Shaoji Xiang & Zhenhua Cui

Authors
  1. Yanfang Ma  (马艳芳)
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  2. Shaoji Xiang
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  3. Zhenhua Cui
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  4. Kanshe Li  (李侃社)
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  5. Zhihong Zhang
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Corresponding author

Correspondence to Kanshe Li  (李侃社).

Additional information

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)

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Ma, Y., Xiang, S., Cui, Z. et al. Molecular Dynamic Regulation of Na and Mg Ions on Lithium Carbonate Crystallisation in Salt Lakes. J. Wuhan Univ. Technol.-Mat. Sci. Edit. 36, 22–28 (2021). https://doi.org/10.1007/s11595-021-2373-2

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  • DOI: https://doi.org/10.1007/s11595-021-2373-2

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