High storage capacity and separation selectivity for C2 hydrocarbons over methane in the metal-organic framework Cu-TDPAT

We report on the storage capacity and separation selectivity of an rht-type metal-organic framework, Cu-TDPAT [TDPAT = 2,4,6-tris(3,5-dicarboxylphenylamino)-1,3,5-triazine], for C-2 hydrocarbons over CH4. Henry's constant, the isosteric heat of adsorption and the ideal adsorbed solution theory selectivity were calculated based on single-component sorption isotherms. Theoretical calculations indicate that both the open metal sites and the Lewis basic sites have strong interactions with the C-2 molecules. The combination of these two kinds of sites lead to the highest C2H2-CH4 selectivity of 127.1 as well as record high values for C2H4 adsorption enthalpies. To mimic real-world conditions, breakthrough experiments were conducted on an equimolar four-component mixture containing C2H2, C2H4, C2H6 and CH4 at room temperature and 1 atm pressure. Our results show that Cu-TDPAT is a promising candidate for CH4 capture and purification.