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<p>This study presents a comprehensive three-dimensional computational fluid dynamics (CFD) analysis of solution precursor high-velocity oxy-fuel (SP-HVOF) spraying for the synthesis of lithium cobalt oxide (LiCoO<sub>2</sub>, LCO) cathode coatings. The CFD model simulates the gas dynamics, combustion physics, and evolution of injected solution droplets in a DJ2700 torch. Two combustion conditions are studied in this work, stoichiometric and fuel-rich, across standoff distances ranging from 5 to 14&#xa0;cm. A coupled Eulerian–Lagrangian framework is used to model solution droplet atomization, solvent evaporation, and the transformation into solid particles, accounting for key thermochemical events. The simulations show that atomization and solvent evaporation are largely completed within the nozzle, leading to consistent particle sizes at impact, regardless of the standoff distance. The results reveal that the combustion regime and standoff distance both have a strong influence on gas dynamics and particle behavior near the substrate. Stoichiometric combustion produces smaller particles (D<sub>50</sub> ≈ 4.20&#xa0;µm) with higher velocities (up to 1550&#xa0;m/s). In contrast, fuel-rich combustion generates larger particles (D<sub>50</sub> ≈ 5.98&#xa0;µm), nearly three times more massive, with mean particle velocities 10-20% lower. Detailed quantitative mapping of temperature–diameter and velocity–diameter relationships at the substrate highlights 8&#xa0;cm as the optimal standoff distance in both combustion regimes. The model’s accuracy is validated by using single-scan SEM particle footprint analysis, which reveals strong agreement between predicted and experimentally observed particle sizes. X-ray diffraction (XRD) analysis performed after a mild post-deposition heat treatment reveals that LCO is the dominant crystalline phase, which indicates that particles absorbed enough thermal energy during flight to initiate phase transformation. These findings provide valuable insights that deepen the understanding of SP-HVOF parameters for the synthesis of lithium-based coatings.</p>

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Numerical Analysis of Solution Precursor High-Velocity Oxy-Fuel (SP-HVOF) Spraying for the Development of Lithium Cobalt Oxide (LCO) Coatings

  • 期刊论文

  • 发表日期：

    2026年1月13日

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  • Alireza Rahimi,
  • Mehdi Jadidi,
  • Mohammad Izadinia,
  • Ali Dolatabadi

摘要

This study presents a comprehensive three-dimensional computational fluid dynamics (CFD) analysis of solution precursor high-velocity oxy-fuel (SP-HVOF) spraying for the synthesis of lithium cobalt oxide (LiCoO2, LCO) cathode coatings. The CFD model simulates the gas dynamics, combustion physics, and evolution of injected solution droplets in a DJ2700 torch. Two combustion conditions are studied in this work, stoichiometric and fuel-rich, across standoff distances ranging from 5 to 14 cm. A coupled Eulerian–Lagrangian framework is used to model solution droplet atomization, solvent evaporation, and the transformation into solid particles, accounting for key thermochemical events. The simulations show that atomization and solvent evaporation are largely completed within the nozzle, leading to consistent particle sizes at impact, regardless of the standoff distance. The results reveal that the combustion regime and standoff distance both have a strong influence on gas dynamics and particle behavior near the substrate. Stoichiometric combustion produces smaller particles (D50 ≈ 4.20 µm) with higher velocities (up to 1550 m/s). In contrast, fuel-rich combustion generates larger particles (D50 ≈ 5.98 µm), nearly three times more massive, with mean particle velocities 10-20% lower. Detailed quantitative mapping of temperature–diameter and velocity–diameter relationships at the substrate highlights 8 cm as the optimal standoff distance in both combustion regimes. The model’s accuracy is validated by using single-scan SEM particle footprint analysis, which reveals strong agreement between predicted and experimentally observed particle sizes. X-ray diffraction (XRD) analysis performed after a mild post-deposition heat treatment reveals that LCO is the dominant crystalline phase, which indicates that particles absorbed enough thermal energy during flight to initiate phase transformation. These findings provide valuable insights that deepen the understanding of SP-HVOF parameters for the synthesis of lithium-based coatings.