Muhammad Shoaib Tahir , Han-Yeol Park , Iqra Kainat , Yun-Jae Han , Minsung Kim , Young-Soo Seo
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Recent progress in Zeolitic Imidazolate Frameworks for gas separation: Insights from theory, experiment, and process design
Zeolitic Imidazolate Frameworks (ZIFs) are the structurally versatile class of metal-organic framework materials that have demonstrated strong potential in gas separation, particularly for hydrogen (H2) and carbon dioxide (CO2). This review critically evaluates their intrinsic separation performance by examining how pore topology, aperture size, framework rigidity, and functional group chemistry influence gas transport and selectivity. Both crystalline and amorphous ZIFs are discussed, with recent experimental data and theoretical simulations integrated to uncover the molecular-level mechanisms of diffusion and adsorption. Particular attention is given to the role of framework flexibility, defect formation, and polarity in controlling separation behavior. Challenges related to large-scale membrane fabrication, interfacial compatibility, and long-term stability under realistic operating conditions are thoroughly analyzed. In addition, the emerging role of artificial intelligence is explored for material screening and as a tool for optimizing synthesis protocols and processing workflows. This review links structural design with process scalability to inform future development of ZIF membranes for industrial gas separations.
期刊介绍:
Materials Today Physics is a multi-disciplinary journal focused on the physics of materials, encompassing both the physical properties and materials synthesis. Operating at the interface of physics and materials science, this journal covers one of the largest and most dynamic fields within physical science. The forefront research in materials physics is driving advancements in new materials, uncovering new physics, and fostering novel applications at an unprecedented pace.