Separation or purification is one of the difficult problems in the petrochemical industry. To help solve the difficulty of separation or purification for C2H2/CO2 and C2Hn/CH4 in the chemical industry, we synthesized a new metal-organic framework (MOF), [Ni(dpip)]·2.5DMF·H2O (1), by a bipyridyl-substituted isophthalic acid ligand. The MOF includes two types of one-dimensional (1D) tubular channels with different sizes and porous environments. The unique tubular channels lead to not only remarkable gas sorption capacity of C2H4, C2H2, and CO2, but also good selectivity for C2H2/CH4, C2H2/CH4, CO2/CH4, and C2H2/CO2, as demonstrated by single-component sorption isotherm results, ideal adsorbed solution theory calculations, and dynamic breakthrough curves. Grand canonical Monte Carlo (GCMC) simulation reveals preferential adsorption sites in the MOF for CO2, C2H2, and C2H4. The MOF also exhibits an obvious size-selective absorption effect on vapor molecules.
Keywords: dynamic breakthrough; gas sorption; metal−organic framework; structure; vapor adsorption.