Mixing and Reaction in a

The coprecipitation of iron phosphate (FePO4), a precursor for lithium iron phosphate (LiFePO4) cathode materials, is governed by strong interactions between hydrodynamics, multiphase mixing, and reaction kinetics in stirred reactors. This study develops an advanced CFD model of a continuous stirred tank reactor (CSTR) dedicated to FePO4 synthesis. The framework combines an Euler–Euler multiphase formulation, the realizable k–ε turbulence model, and detailed turbulence–chemistry interaction through both the Eddy Dissipation Model (EDM) and the hybrid EDM/Finite-Rate (EDM/FR) approach. Single-phase, multiphase, and reactive-flow simulations are conducted to identify the optimal impeller configuration, characterize recirculation patterns, evaluate mixing quality, and quantify species distribution and dead zones. Results show that configuration A, equipped with baffles and operated at 1000 rpm, provides the most homogeneous hydrodynamics, while the EDM/FR model accurately captures FePO4 formation. The proposed CFD framework supports reactor optimization, scale-up, and improved design of coprecipitation processes.