Título: Experimental and Numerical Study of Calcium Carbonate Precipitation for CO2 Trapping in an Industrial Unit using a Semi-batch Reactor: Parameter Estimation and Multi-objective Optimization
Autores: MARTINS, L. F. L.; LOBATO, F. S.; DANTAS, S. C.; HORI, C. E.
Revista: Particuology, 112, 170-182, 2026.
Resumo: The search for sustainable carbon dioxide (CO2) capture and reutilization strategies has intensified due to the environmental impact of industrial emissions. In this study, the calcium carbonate precipitation process via CO2 absorption into an aqueous solution of calcium hydroxide in a stirred semi-batch reactor is investigated. The mathematical model describing this process incorporates both absorption and reaction kinetics, as well as hydrodynamic conditions. Phenomenological and kinetic parameters are estimated by formulating and solving an inverse problem based on experimental data from the industrial unit, considering different initial calcium ion concentrations. Furthermore, the influence of operational variables (solid content, CO2 concentration, and mixing speed) on time to completion and the mass of carbonates formed was assessed using a central composite design. A multi-objective optimization problem was formulated to determine the operational conditions that minimize time to completion and maximize the mass of carbonates formed. The results demonstrate that the proposed methodology provides accurate estimates for the CO2 mass transfer coefficient, which are in good agreement with literature values. However, for the kinetic parameters, the obtained ranges were not consistent with those reported in the literature. This discrepancy is likely due to the fact that the sample used was not pure. From a statistical perspective, the obtained meta-models were not influenced by the mixing speed. The points forming the Pareto curve correspond to higher values of CO2 concentration and solid content within the defined domain. Finally, a trade-off solution between the objectives was determined, allowing for the selection of a point on the Pareto curve for practical application.

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