Strong binding site molarity of MOFs and its effect on CO₂ adsorption

Metal organic frameworks (MOFs) with strong binding sites usually have remarkable CO₂ adsorption capacity at ambient conditions. A new material parameter, the strong binding site molarity, defined as the number of the strong binding sites divided by the molecular weight of the unit cell of MOF, is introduced to understand CO₂ adsorption on these MOFs. The CO₂ adsorption capacity can be correlated to the strong binding site molarity in 1:1 ratio. The strong binding site coverage by CO₂ molecules can also be correlated to the isosteric heat of CO₂ adsorption at a given pressure. The strong binding site molarity is used to predict CO₂ adsorption amount of several new types of MOFs to show its uses in selection or design of MOFs for CO₂ capture.