Molecular simulation of the selective adsorption of CO₂ in combustion effluents
Résumé
The selective adsorption of mixture components is an important property of adsorbent materials for the purification and possible capture of combustion effluents. The selectivity of an adsorbent can vary strongly with the characteristics of its pore network. This study is devoted to determine the variation of the selective adsorption between the micro and meso pores of a given adsorbent. The estimation is done by molecular simulation on the specific case of a CO₂/N₂ binary mixture adsorbed on activated carbon. The simulation results are used to evaluate the ability of a theoretical approach to predict the selectivity change with the pore size.