How to Optimize the Electrostatic Interaction between a Solid Adsorbent and CO2

Pressure swing adsorption (PSA) is a promising method for an economically viable separation of CO2 from gas mixtures. One important step in developing efficient PSA separations is to choose an adsorbent with a good compromise between selectivity and working capacity. The problem can be seen as an optimization process where one searches the properties of the adsorbent that give the best trade-off between selectivity and working capacity. In a recent work we have developed a method to optimize the properties of nonpolar adsorbents for PSA separation of CO2. In this work we have extended the analysis to polar adsorbents. A simplified model of the electric field generated by the solid is used to gain a better understanding of the effect of the geometry and the magnitude of the field on the adsorption behavior of the system. General rules about optimal adsorbents for CO2, adsorption in porous solid can be drawn. These rules allow defining a strategy for the intelligent design of porous materials for CO2 separation applications.