Robust Nickel-Based Metal-Organic Framework for Highly Efficient Methane Purification and Capture

Developing energy-efficient alternatives for methane (CH₄) purification from natural gas and methane capture of coal-mine gas is of great significance and challenge in the chemical industry. Herein, we report a robust nickel-based metal-organic framework (MOF), Ni-BPZ, featuring one-dimensional (1D) rhombic channels decorated with abundant pyrazole rings. Ni-BPZ exhibits excellent separation performance toward both C₂H₆/CH₄ and CH₄/N₂ binary mixtures. The C₂H₆/CH₄ selectivity of Ni-BPZ is high, up to 50.2, exceeding those of most MOF adsorbents reported, and it simultaneously possesses a remarkable C₂H₆ uptake of 2.46 mmol/g at 298 K and 0.1 bar. The CH₄/N₂ selectivity of Ni-BPZ reaches 6.6, and its high CH₄ uptake is 1.56 mmol/g, which is also superior to most high-performance CH₄ adsorbents. The molecular simulation reveals that the uniform 1D rhombic channels with abundant pyrazole rings provide a high density of potential adsorption sites for efficient C₂H₆/CH₄ and CH₄/N₂ separations.