Optimal Faujasite structures for post combustion CO 2 capture and separation in different swing adsorption processes

摘要: Abstract Grand Canonical Monte–Carlo (GCMC) simulations are used in this work, to assess optimum faujasite structures, the well–known family of zeolites, CO2 capture processes. Pressure Swing Adsorption (PSA) and Vacuum (VSA) procedures have been considered evaluate purity, working capacity breakthrough time. To purpose, ten structures with different Al content were selected, best conditions for maximization calculated each structure. Further results show that zeolites having intermediate most effective VSA processes, whereas low faujasites perform better at PSA conditions. Remarkably, present work clearly improve Faujasite 13X VSA–PSA performances, so far industrial reference absence water. Moreover, combined VPSA terms adiabatic required compression/expansion, also studied, showing systems more efficient than pure PSA/VSA, content. Finally, an improved methodology has derived, where GCMC mixture isotherms energetic cost calculations combined, a accurate way estimating capacities times is proposed. This new approach allows realistic evaluations adsorbents’ those found literature based on adsorption data.