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Thermodynamic analysis of NCM precursor co-precipitation based on a hybrid activity model

  • Carbon Letters
  • Abbr : Carbon Lett.
  • 2026, 36(3), pp.1125~1143
  • DOI : 10.1007/s42823-026-01045-2
  • Publisher : Korean Carbon Society
  • Research Area : Natural Science > Natural Science General > Other Natural Sciences General
  • Received : February 5, 2026
  • Accepted : April 14, 2026
  • Published : June 1, 2026

Lee Seok-Hee 1 Jeon Taehun 1 Kim Neung-Hae 1 Kim Minjun 2 Nam Seunghoon 2 Kim Chunjoong 3

1충남대학교
2명지대학교
3충남대학교 신소재공학과

Accredited

ABSTRACT

This study examines the thermodynamic behaviour of coprecipitation reaction for Ni1-x-yCoxMny(OH)2 precursors that is necessary for preparation of cathode materials, LiNi1-x-yCoxMnyO2, of Li-ion batteries under high-ionic-strength process solutions. To capture non-ideal solution behavior while maintaining practical parameter availability, a hybrid activity framework is proposed. Pitzer interactions are applied to dominant background ions including Na+, NH4+, and SO42-, while Davies and extended Debye–Hückel corrections are employed for metal-ammine and metal-hydroxo complexes. Using a consistent activity-based formulation, the total solubilities of Ni2+, Co2+, and Mn2+ are calculated and visualized exclusively within the precipitation-relevant regime. Under the industrially relevant pH range (9 - 12), optimum pH ranges are identified based on inter-metal disparity and precipitation margin as a function of composition of precursors and total ammonia concentration. Compared with concentration-only or Davies-only approaches, the hybrid framework yields a more conservative and practically relevant operating window for pH and ammonia control. Although experimental calibration is not included, the framework provides an activity-consistent solubility map suitable for extension with refined equilibrium data.

Citation status

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This paper was written with support from the National Research Foundation of Korea.