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

• A strong binding site molarity (SM) is defined to describe CO2 adsorption in MOFs.
• CO2 adsorption capacity of MOFs at ambient conditions is determined by SM.
• CO2 adsorption site coverage gradually increases with the increase isosteric heat.
• SM is used to predict CO2 adsorption capacity of over 40 unreported MOFs.

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.

Figure optionsDownload as PowerPoint slide