Nowadays, reduction of the carbon footprint in the environment is one of the most challenging issues, and thus several technologies have been adopted for the effective arrest of carbon dioxide (CO2). Among these, packed-bed absorption using caustic soda is one of the simplest and widely accepted separation strategies for CO2. However, the intricate issues that make the process a bit complicated are the selection of operational parameters such as gas velocity or the caustic concentration for efficient separation. Moreover, the most significant one is the blockage of the pores within the packed-bed column that lead to a reduction in the effective mass-transfer area and, therefore, less separation. In order to analyze these operational paradigms, one needs to explore the process internal fluid dynamics pattern for long-term operation. In this present work, an attempt was made to enumerate this flow field in a packed bed using a lattice Boltzmann simulation technique, an extended concept of lattice gas automata. Moreover, using the simulation technique, the gas inlet velocity to the column and the caustic soda concentration were estimated for effective CO2 capture. The model shows a minimum absolute percentage error of 0.0005 between the predicted and experimental CO2 outlet concentration.