Scientific Principles and Industrial Progress in Battery-Grade Lithium Carbonate Production Technology

Abstract

This paper systematically reviews modern production technologies for battery-grade lithium carbonate (Li₂CO₃, purity ≥99.5%), with a focus on crystallographic control, interfacial reaction mechanisms, and process intensification strategies. Based on thermodynamic phase equilibrium and kinetic analysis, the techno-economic feasibility of different process routes is compared, and optimization directions are proposed to meet the demands of next-generation lithium battery materials.

1. Material Intrinsic Properties and Quality Control

The crystallographic characteristics of battery-grade lithium carbonate critically determine its electrochemical performance. X-ray diffraction and Rietveld refinement confirm that ideal crystals should exhibit:

  • Monoclinic crystal system (space group C2/c)
  • Lattice parameters: a=8.368(3) Å, b=4.965(2) Å, c=6.210(2) Å
  • Lithium ion coordination number of 4 ([LiO₄] tetrahedron)

Internationally recognized technical specifications require:

  • Key impurity limits (ICP-MS analysis):
    ∙ Na/K <50 ppm
    ∙ Fe <10 ppm
    ∙ Ca/Sr <20 ppm
    ∙ SO₄²⁻/Cl⁻ <30 ppm
  • Particle size distribution (laser diffraction):
    ∙ D10=1.5-2.5 μm
    ∙ D50=4-6 μm
    ∙ D90=8-12 μm

2. Lithium Extraction from Salt Lake Brines

2.1 Magnesium-Lithium Separation Science

For high-Mg brines (Mg/Li>8), recent studies indicate:

  • Solvent extraction systems (TBP/FeCl₃/kerosene) achieve separation factors β(Mg/Li) up to 120
  • Aluminum-based adsorbents (λ-MnO₂) exhibit lithium adsorption capacities of 6.8 mg/g (25°C)
  • Crown ether derivatives (e.g., DB18C6) demonstrate Li⁺ selectivity coefficients >1000

2.2 Advances in Membrane Separation

Optimized bipolar membrane electrodialysis (BPED) parameters:

Energy consumption (E)=​IVt/MLi​

Key parameters:

  • Current density (I): 250±50 A/m²
  • Cell voltage (V): 3.2-3.8 V
  • Li⁺ transport number: 0.88±0.03
    Industrial data show this technology reduces Na content to <30 ppm.

3. Innovations in Ore-Based Lithium Extraction

3.1 Reaction Engineering in Sulfuric Acid Method

Phase transition kinetics of spodumene (α-spodumene):

/dt​=Aexp(−Ea​​/RT)⋅(1−α)n

Critical parameters:

  • β-phase formation activation energy (Ea): 215 kJ/mol
  • Acidolysis reaction order (n): 1.2
  • Optimal acid-to-ore ratio: 1.25:1 (mass ratio)

3.2 Progress in Chlorination Roasting

In fluidized bed reactors (650°C):

2LiAlSi2​O6​+CaCl2​→2LiCl+CaAl2​Si4​O12​

Performance metrics:

  • Lithium conversion rate: 92.5±2.5%
  • Energy consumption: 8.5 GJ/t Li₂CO₃
  • HCl recovery rate: >85%

4. Advanced Purification Technologies

4.1 Hydrogenation-Thermal Decomposition Process

Phase equilibrium control:

Li2​CO3​(s)+CO2​(g)+H2​O(l)⇌2LiHCO3​(aq)

Optimal operating window:

  • Carbonation temperature: 20±1°C
  • CO₂ partial pressure: 0.38 MPa
  • Decomposition rate: 1.2 g/(L·min)

4.2 Advancements in Electrolysis

Anion exchange membrane (AEM) requirements:

  • Area resistance: <2 Ω·cm²
  • Swelling ratio: <15%
  • Current efficiency: >90%

5. Cutting-Edge Recycling Technologies

5.1 Direct Regeneration Technology

Defect repair mechanisms in LiFePO₄:

  • Optimal lithiation conditions:
    ∙ Li/TM=1.05
    ∙ Sintering temperature: 680-720°C
    ∙ Oxygen partial pressure: 10⁻⁵ atm
  • Capacity recovery rate: >98.5%

5.2 Selective Leaching

Eh-pH diagram analysis of H₂SO₄-H₂O₂ system reveals:

  • Optimal potential range: 0.6-0.8 V vs. SHE
  • Fe³⁺/Li⁺ separation coefficient: 1.2×10⁴
  • Lithium leaching efficiency: 98.9±0.5%

6. Sustainability Assessment

Table 1. Environmental Footprint Comparison of Processes (unit: kg CO₂-eq/t Li₂CO₃)

Process StageBrine MethodOre MethodRecycling Method
Raw Material Prep.8501200150
Energy Consumption9502800450
Chemical Usage300500200
Total21004500800

Life cycle assessment (LCA) shows recycling reduces:

  • Water consumption: 68±5%
  • Carbon emissions: 72±3%
  • Land disturbance: 90%

7. Future Challenges and Opportunities

  1. Novel Separation Materials:
    • Development of MOFs with molecular recognition capabilities
    • Design of Li⁺-specific ionic liquids
  2. Process Intensification:
    • High-gravity reactors (β>300g)
    • Plasma-assisted decomposition
  3. Digital Control:
    • DFT-based process parameter optimization
    • Real-time monitoring via digital twins
  4. High-End Applications:
    • Ultra-high-purity Li₂CO₃ (>99.99%) for solid-state electrolytes
    • Single-crystal cathode precursor synthesis

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