Efficient CH4 separation and vapor uptakes in a porous MOF featuring 2D interlaced channels: experiment and simulation exploration

A novel porous MOF [In-0.5(dcpia) 0.5 center dot 2H(2)O center dot 2DMF center dot(Me2NH2)(0.5)](n) (1) was successfully built by utilizing flexible 4-(3',5'-dicarboxylphenoxy)isophthalic acid (H(4)dcpia) and In3+ ion, which shows a 3D porous structure with 2D perforating pore, and the unique polar pore environment result in high C2H2, CO2 and vapor uptakes together with high gas affinity and CH4 separation performances, which was further certified by IAST calculation, breakthrough curves and theoretical simulations. Moreover, GCMC simulations pointed out that different interactions between framework and gas are the reason for dissimilarity in adsorption process.

Automated summary

A novel porous MOF was successfully constructed using flexible 4-(3',5'-dicarboxylphenoxy)isophthalic acid (H(4)dcpia) and In3+ ion, exhibiting high gas adsorption capacity and CH4 separation performance. GCMC simulations revealed that different interactions between the framework and gas contribute to the disparity in the adsorption process.