Abstract
Modeling of a single particle model for carbochlorination of alumina utilizing carbon monoxide (CO) and chlorine gas (Cl2) has been studied in OpenFOAM. The model employed species mass balance, energy balance, and momentum balance of the system consisting of gas phase and solid alumina phase. The kinetics followed the first-order power law model for the chemical reaction part and the structural part was realized according to the intraparticle hydrodynamics and the changing porosity. An assessment was given to analyze the concentration of gas reactants and products, the alumina consumption rate or conversion, the temperature profile of the system and the flow around and inside the particle. Further assessment was also given to compare the previously reported results with the new approach in OpenFOAM. The overall conversion was obtained and compared with the experimental data from the literature to validate the model. The model was able to capture the concentration profile of gas reactants and products, the alumina consumption rate, the temperature profile and the flow behavior around and inside the particle, thus giving a comprehensive description of the carbochlorination process in a single alumina particle.