NaHCO₃ production from Na₂SO₄ carbonation: Dynamic simulation for particle growth and production yield with pilot-scale validation

Recently, the conversion of sodium sulfate (Na₂SO₄) into size-controlled sodium bicarbonate (NaHCO₃) has gained increasing attention as a sustainable strategy for byproduct valorization, particularly due to the large volumes of Na₂SO₄ generated during the production of secondary battery raw materials. However, no established methodology currently exists to quantitatively assess the time-resolved variations in particle size and production yield under continuous carbonation conditions in the bubble column reactor, or to support strategic process optimization targeting both objectives. To address these challenges, we developed a dynamic simulation framework integrating mass balances for the gas, liquid, and solid phases, along with population balance equations. The dynamic simulation revealed that both particle size and production yield exhibit oscillatory behavior over time, leading to an inverse relationship between them. As the temperature increased from 298 K to 343 K, the NaHCO₃ particle size increased from 14.3 μm to 135.3 μm, whereas the corresponding production yield decreased from 62.2 % to 12.5 %. These simulation results were confirmed through pilot-scale experiments, demonstrating the reliability of the proposed model. Overall, the findings not only highlight the need for process optimization that reduces dynamic instabilities and balances the trade-off between particle size and production yield, but also support the utility of the proposed dynamic model in achieving consistent and desirable crystallization outcomes. • Dynamic model captures the transition of NaHCO₃ formation from Na₂SO₄ carbonation. • Dynamic model reveals inverse relationship between particle size and NaHCO₃ yield. • Dynamic model unveils oscillatory behavior in NaHCO₃ precipitation. • Proposed dynamic model is validated through pilot-scale experiments.